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IBS-ZINC03881635 |
MMsINC code: MMs01871356 |
Type: Neutral Formula: C21H28O2
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Potential Energy Epot(MMFF94)=113.187 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 312.453 g/mol | logS: -5.38272 | SlogP: 3.88261 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.175543 | Sterimol/B1: 2.04515 | Sterimol/B2: 3.77452 | Sterimol/B3: 4.93421 | |||
Sterimol/B4: 6.35692 | Sterimol/L: 14.0962 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 511.781 | Positive charged surface: 328.409 | Negative charged surface: 183.372 | Volume: 320.5 | |||
Hydrophobic surface: 399.306 | Hydrophilic surface: 112.475 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 6 | ||||||
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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