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PUBCHEM-ZINC06168431 |
MMsINC code: MMs03576923 |
Type: Neutral Formula: C17H28N2O3S
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Potential Energy Epot(MMFF94)=29.9443 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 340.488 g/mol | logS: -4.28496 | SlogP: 2.60272 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.134249 | Sterimol/B1: 2.41413 | Sterimol/B2: 3.01142 | Sterimol/B3: 4.33138 | |||
Sterimol/B4: 9.99787 | Sterimol/L: 14.8713 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 580.059 | Positive charged surface: 377.273 | Negative charged surface: 202.787 | Volume: 338.625 | |||
Hydrophobic surface: 421.204 | Hydrophilic surface: 158.855 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 3 | 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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