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MDPI-ZINC03850234 |
MMsINC code: MMs02182691 |
Type: Neutral Formula: C26H38O6
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Potential Energy Epot(MMFF94)=227.762 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 446.584 g/mol | logS: -4.77329 | SlogP: 4.2473 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0771048 | Sterimol/B1: 3.59214 | Sterimol/B2: 3.85437 | Sterimol/B3: 3.9432 | |||
Sterimol/B4: 7.30244 | Sterimol/L: 17.9968 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 640.237 | Positive charged surface: 461.363 | Negative charged surface: 178.874 | Volume: 422.625 | |||
Hydrophobic surface: 446.957 | Hydrophilic surface: 193.28 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 6 | 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: 0 | Oprea's lead like rule: 1 |
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