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IBS-ZINC00689823 |
MMsINC code: MMs01756880 |
Type: Neutral Formula: C23H34O5
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Potential Energy Epot(MMFF94)=156.038 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 390.52 g/mol | logS: -4.06033 | SlogP: 2.5751 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.222421 | Sterimol/B1: 2.41264 | Sterimol/B2: 3.7032 | Sterimol/B3: 5.96239 | |||
Sterimol/B4: 6.1025 | Sterimol/L: 15.0445 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 565.241 | Positive charged surface: 410.501 | Negative charged surface: 154.74 | Volume: 373.75 | |||
Hydrophobic surface: 343.762 | Hydrophilic surface: 221.479 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 9 | ||||||
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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