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NCID-ZINC04428407 |
MMsINC code: MMs02386784 |
Type: Neutral Formula: C25H36O5
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Potential Energy Epot(MMFF94)=130.534 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 416.558 g/mol | logS: -5.70584 | SlogP: 4.7718 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.149344 | Sterimol/B1: 2.11748 | Sterimol/B2: 3.62392 | Sterimol/B3: 4.53273 | |||
Sterimol/B4: 10.2239 | Sterimol/L: 15.9763 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 658.208 | Positive charged surface: 456.247 | Negative charged surface: 201.961 | Volume: 413.5 | |||
Hydrophobic surface: 500.903 | Hydrophilic surface: 157.305 | |||||
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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