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ENAMINE-ZINC05687541 |
MMsINC code: MMs01632728 |
Type: Ionized Formula: C16H16N3O4S-
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Potential Energy Epot(MMFF94)=74.7171 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 346.387 g/mol | logS: -4.89133 | SlogP: 3.15137 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0770396 | Sterimol/B1: 2.9401 | Sterimol/B2: 3.02457 | Sterimol/B3: 4.76501 | |||
Sterimol/B4: 6.95617 | Sterimol/L: 15.5636 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 553.435 | Positive charged surface: 257.021 | Negative charged surface: 296.414 | Volume: 298.5 | |||
Hydrophobic surface: 375.681 | Hydrophilic surface: 177.754 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 0 | Acid groups: 3 | Basic groups: 0 | |||
Chiral centers: 1 | ||||||
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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