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ENAMINE-ZINC03400194 |
MMsINC code: MMs01419560 |
Type: Neutral Formula: C19H21N3S
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Potential Energy Epot(MMFF94)=52.914 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 323.464 g/mol | logS: -6.22326 | SlogP: 5.3489 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.136147 | Sterimol/B1: 2.07464 | Sterimol/B2: 5.59378 | Sterimol/B3: 6.79246 | |||
Sterimol/B4: 7.40913 | Sterimol/L: 14.3208 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 571.229 | Positive charged surface: 338.652 | Negative charged surface: 227.148 | Volume: 321.75 | |||
Hydrophobic surface: 521.064 | Hydrophilic surface: 50.165 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | 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: 1 | Oprea's lead like rule: 1 |
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