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CHEMBRIDGE-ZINC04614492 |
MMsINC code: MMs00773331 |
Type: Neutral Formula: C20H21NO5S
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Potential Energy Epot(MMFF94)=73.4629 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 387.456 g/mol | logS: -5.45171 | SlogP: 4.0312 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0571853 | Sterimol/B1: 2.0662 | Sterimol/B2: 2.55825 | Sterimol/B3: 5.10701 | |||
Sterimol/B4: 8.03181 | Sterimol/L: 17.6531 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 634.906 | Positive charged surface: 395.401 | Negative charged surface: 239.505 | Volume: 351.375 | |||
Hydrophobic surface: 511.716 | Hydrophilic surface: 123.19 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 2 | ||||||
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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