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ENAMINE-ZINC04986273 |
MMsINC code: MMs01572508 |
Type: Neutral Formula: C16H23NO3S
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Potential Energy Epot(MMFF94)=52.0287 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 309.43 g/mol | logS: -3.99545 | SlogP: 2.77467 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.069242 | Sterimol/B1: 2.55161 | Sterimol/B2: 2.91044 | Sterimol/B3: 5.07213 | |||
Sterimol/B4: 5.77238 | Sterimol/L: 17.7001 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 577.795 | Positive charged surface: 364.25 | Negative charged surface: 213.546 | Volume: 302.75 | |||
Hydrophobic surface: 471.032 | Hydrophilic surface: 106.763 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 3 | ||||||
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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