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NCID-ZINC04803248 |
MMsINC code: MMs02407940 |
Type: Ionized Formula: C14H18NO10S2-
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Potential Energy Epot(MMFF94)=96.5862 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 424.427 g/mol | logS: -2.23074 | SlogP: -1.74193 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.103643 | Sterimol/B1: 3.68376 | Sterimol/B2: 4.62114 | Sterimol/B3: 5.25461 | |||
Sterimol/B4: 5.50309 | Sterimol/L: 15.6732 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 568.666 | Positive charged surface: 286.993 | Negative charged surface: 281.673 | Volume: 327.625 | |||
Hydrophobic surface: 273.319 | Hydrophilic surface: 295.347 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 5 | Hydrogen bond acceptors: 7 | Acid groups: 3 | Basic groups: 0 | |||
Chiral centers: 5 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 1 |
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