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NCID-ZINC05437156 |
MMsINC code: MMs02461736 |
Type: Neutral Formula: C19H28N2O
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Potential Energy Epot(MMFF94)=121.046 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 300.446 g/mol | logS: -3.70359 | SlogP: 3.34087 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.1366 | Sterimol/B1: 2.01367 | Sterimol/B2: 3.82945 | Sterimol/B3: 5.50072 | |||
Sterimol/B4: 6.00813 | Sterimol/L: 15.4152 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 530.395 | Positive charged surface: 411.224 | Negative charged surface: 119.171 | Volume: 311.125 | |||
Hydrophobic surface: 428.426 | Hydrophilic surface: 101.969 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 5 | ||||||
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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