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CHEMDIV-ZINC04101455 |
MMsINC code: MMs00926210 |
Type: Neutral Formula: C23H33N3O3
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Potential Energy Epot(MMFF94)=204.495 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 399.535 g/mol | logS: -4.8599 | SlogP: 3.22422 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.2207 | Sterimol/B1: 2.46623 | Sterimol/B2: 3.99526 | Sterimol/B3: 7.60942 | |||
Sterimol/B4: 7.79057 | Sterimol/L: 16.4922 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 646.041 | Positive charged surface: 427.207 | Negative charged surface: 218.833 | Volume: 397.125 | |||
Hydrophobic surface: 517.271 | Hydrophilic surface: 128.77 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | 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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