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CHEMBLOCK-ZINC03629240 |
MMsINC code: MMs00539272 |
Type: Neutral Formula: C19H23N3O5S
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Potential Energy Epot(MMFF94)=25.7679 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 405.475 g/mol | logS: -4.6062 | SlogP: 2.3257 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.126561 | Sterimol/B1: 2.14212 | Sterimol/B2: 5.55963 | Sterimol/B3: 6.69277 | |||
Sterimol/B4: 6.84908 | Sterimol/L: 16.7765 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 695.746 | Positive charged surface: 451.837 | Negative charged surface: 243.909 | Volume: 370.875 | |||
Hydrophobic surface: 417.927 | Hydrophilic surface: 277.819 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 6 | 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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