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CHEMDIV-ZINC02958899 |
MMsINC code: MMs00898378 |
Type: Neutral Formula: C19H25N3O3S2
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Potential Energy Epot(MMFF94)=84.446 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 407.559 g/mol | logS: -5.27092 | SlogP: 2.8195 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.036306 | Sterimol/B1: 2.27165 | Sterimol/B2: 4.00411 | Sterimol/B3: 4.69123 | |||
Sterimol/B4: 5.71612 | Sterimol/L: 20.5087 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 654.47 | Positive charged surface: 408.099 | Negative charged surface: 246.371 | Volume: 362.625 | |||
Hydrophobic surface: 477.349 | Hydrophilic surface: 177.121 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | 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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