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NCID-ZINC05783907 |
MMsINC code: MMs02497559 |
Type: Neutral Formula: C21H34O5
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Potential Energy Epot(MMFF94)=117.77 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 366.498 g/mol | logS: -3.51957 | SlogP: 3.2864 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.119174 | Sterimol/B1: 2.43438 | Sterimol/B2: 4.1933 | Sterimol/B3: 4.72056 | |||
Sterimol/B4: 7.4108 | Sterimol/L: 17.9689 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 630.167 | Positive charged surface: 482.36 | Negative charged surface: 147.807 | Volume: 364.5 | |||
Hydrophobic surface: 463.055 | Hydrophilic surface: 167.112 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 5 | 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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