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NCID-ZINC04655369 |
MMsINC code: MMs02392550 |
Type: Neutral Formula: C20H28O2
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Potential Energy Epot(MMFF94)=107.12 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 300.442 g/mol | logS: -3.76199 | SlogP: 4.1894 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.164028 | Sterimol/B1: 1.969 | Sterimol/B2: 3.85346 | Sterimol/B3: 4.79892 | |||
Sterimol/B4: 5.60469 | Sterimol/L: 13.7992 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 499.697 | Positive charged surface: 341.648 | Negative charged surface: 158.049 | Volume: 308.25 | |||
Hydrophobic surface: 364.471 | Hydrophilic surface: 135.226 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | 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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