ChemDes

An integrated web-based platform for molecular descriptor and fingerprint computation

E-state descriptors (245)

51 S51 Sum of E-State of atom type: aaS
52 S52 Sum of E-State of atom type: dssS
53 S53 Sum of E-State of atom type: ddssS
54 S54 Sum of E-State of atom type: sCl
55 S55 Sum of E-State of atom type: sGeH3
56 S56 Sum of E-State of atom type: ssGeH2
57 S57 Sum of E-State of atom type: sssGeH
58 S58 Sum of E-State of atom type: ssssGe
59 S59 Sum of E-State of atom type: sAsH2
60 S60 Sum of E-State of atom type: ssAsH
61 S61 Sum of E-State of atom type: sssAs
62 S62 Sum of E-State of atom type: sssdAs
63 S63 Sum of E-State of atom type: sssssAs
64 S64 Sum of E-State of atom type: sSeH
65 S65 Sum of E-State of atom type: dSe
66 S66 Sum of E-State of atom type: ssSe
67 S67 Sum of E-State of atom type: aaSe
68 S68 Sum of E-State of atom type: dssSe
69 S69 Sum of E-State of atom type: ddssSe
70 S70 Sum of E-State of atom type: sBr
71 S71 Sum of E-State of atom type: sSnH3
72 S72 Sum of E-State of atom type: ssSnH2
73 S73 Sum of E-State of atom type: sssSnH
74 S74 Sum of E-State of atom type: ssssSn
75 S75 Sum of E-State of atom type: sI
76 S76 Sum of E-State of atom type: sPbH3
77 S77 Sum of E-State of atom type: ssPbH2
78 S78 Sum of E-State of atom type: sssPbH
79 S79 Sum of E-State of atom type: ssssPb
80 Smax1-Smax79 Maxmum of E-State value of specified atom type
159 Smin1-Smin79 Minimum of E-State value of specified atom type
238 Shev The sum of the EState indices over all non-hydrogen atoms
239 Scar The sum of the EState indices over all C atoms
240 Shal The sum of the EState indices over all Halogen atoms
241 Shet The sum of the EState indices over all hetero atoms
242 Save The sum of the EState indices over all non-hydrogen atoms divided by the number of non-hydrogen atoms
243 Smax The maximal Estate value in all atoms
244 Smin The minimal Estate value in all atoms
245 DS The difference between Smax and Smin


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