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IBS-ZINC04081320 |
MMsINC code: MMs01878682 |
Type: Neutral Formula: C25H38O2
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Potential Energy Epot(MMFF94)=180.467 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 370.577 g/mol | logS: -6.81365 | SlogP: 5.6856 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.136414 | Sterimol/B1: 2.01496 | Sterimol/B2: 3.14559 | Sterimol/B3: 5.23445 | |||
Sterimol/B4: 7.0752 | Sterimol/L: 15.8126 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 572.021 | Positive charged surface: 414.628 | Negative charged surface: 157.393 | Volume: 381.125 | |||
Hydrophobic surface: 459.538 | Hydrophilic surface: 112.483 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 8 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 0 |
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