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PUBCHEM-ZINC02018781 |
MMsINC code: MMs02854408 |
Type: Ionized Formula: C17H26NO3S+
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Potential Energy Epot(MMFF94)=57.267 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 324.465 g/mol | logS: -2.70694 | SlogP: 1.6813 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.131019 | Sterimol/B1: 3.30915 | Sterimol/B2: 4.17225 | Sterimol/B3: 4.37185 | |||
Sterimol/B4: 6.71566 | Sterimol/L: 13.9422 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 565.287 | Positive charged surface: 374.973 | Negative charged surface: 190.314 | Volume: 330.625 | |||
Hydrophobic surface: 444.803 | Hydrophilic surface: 120.484 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 1 | |||
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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