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AURORAFEINCHEMIE-ZINC04025987 |
MMsINC code: MMs00461502 |
Type: Neutral Formula: C23H32O4
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Potential Energy Epot(MMFF94)=136.106 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 372.505 g/mol | logS: -4.66211 | SlogP: 4.2651 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.186675 | Sterimol/B1: 3.47172 | Sterimol/B2: 4.34465 | Sterimol/B3: 5.03735 | |||
Sterimol/B4: 6.33522 | Sterimol/L: 14.7805 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 567.891 | Positive charged surface: 372.901 | Negative charged surface: 194.99 | Volume: 370.5 | |||
Hydrophobic surface: 451.537 | Hydrophilic surface: 116.354 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 0 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 7 | ||||||
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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