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ENAMINE-ZINC03416957 |
MMsINC code: MMs01429507 |
Type: Ionized Formula: C24H32NO4+
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Potential Energy Epot(MMFF94)=93.465 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 398.523 g/mol | logS: -4.86701 | SlogP: 2.8364 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0971294 | Sterimol/B1: 4.00031 | Sterimol/B2: 4.98078 | Sterimol/B3: 5.07521 | |||
Sterimol/B4: 6.74132 | Sterimol/L: 18.2191 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 720.583 | Positive charged surface: 537.492 | Negative charged surface: 183.092 | Volume: 409.25 | |||
Hydrophobic surface: 626.009 | Hydrophilic surface: 94.574 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 1 | |||
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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