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ENAMINE-ZINC03446216 |
MMsINC code: MMs01447579 |
Type: Neutral Formula: C24H27N3O4S
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Potential Energy Epot(MMFF94)=130.148 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 453.563 g/mol | logS: -6.09449 | SlogP: 4.85552 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.22444 | Sterimol/B1: 2.8975 | Sterimol/B2: 5.399 | Sterimol/B3: 6.17231 | |||
Sterimol/B4: 8.28779 | Sterimol/L: 15.1058 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 652.532 | Positive charged surface: 356.483 | Negative charged surface: 296.049 | Volume: 417.75 | |||
Hydrophobic surface: 557.229 | Hydrophilic surface: 95.303 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 0 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 0 |
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