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ASINEX-ZINC04944408 |
MMsINC code: MMs00409241 |
Type: Neutral Formula: C18H19N3O3S
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Potential Energy Epot(MMFF94)=22.3395 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 357.434 g/mol | logS: -4.85987 | SlogP: 2.3054 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.114506 | Sterimol/B1: 2.44979 | Sterimol/B2: 4.30038 | Sterimol/B3: 5.18648 | |||
Sterimol/B4: 8.10986 | Sterimol/L: 17.2998 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 613.717 | Positive charged surface: 368.298 | Negative charged surface: 245.419 | Volume: 325.125 | |||
Hydrophobic surface: 338.316 | Hydrophilic surface: 275.401 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 1 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 |
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