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ENAMINE-ZINC03304368 |
MMsINC code: MMs01360249 |
Type: Neutral Formula: C17H23NO4S
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Potential Energy Epot(MMFF94)=38.3437 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 337.44 g/mol | logS: -3.51395 | SlogP: 2.9491 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0244207 | Sterimol/B1: 2.24219 | Sterimol/B2: 2.52799 | Sterimol/B3: 4.0921 | |||
Sterimol/B4: 6.43058 | Sterimol/L: 21.0648 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 624.595 | Positive charged surface: 390.958 | Negative charged surface: 233.637 | Volume: 323.875 | |||
Hydrophobic surface: 490.212 | Hydrophilic surface: 134.383 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | 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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