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IBS-ZINC02090783 |
MMsINC code: MMs01782194 |
Type: Neutral Formula: C23H29NO4
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Potential Energy Epot(MMFF94)=108.048 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 383.488 g/mol | logS: -4.69326 | SlogP: 4.0855 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0802659 | Sterimol/B1: 2.48101 | Sterimol/B2: 3.93213 | Sterimol/B3: 4.50275 | |||
Sterimol/B4: 7.55154 | Sterimol/L: 18.9285 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 630.552 | Positive charged surface: 454.462 | Negative charged surface: 176.09 | Volume: 373 | |||
Hydrophobic surface: 476.207 | Hydrophilic surface: 154.345 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 4 | 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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