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AURORAFEINCHEMIE-ZINC04073743 |
MMsINC code: MMs00466556 |
Type: Neutral Formula: C28H41NO2
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Potential Energy Epot(MMFF94)=170.355 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 423.641 g/mol | logS: -8.63117 | SlogP: 6.28342 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0407678 | Sterimol/B1: 2.59048 | Sterimol/B2: 2.68548 | Sterimol/B3: 4.10358 | |||
Sterimol/B4: 6.44329 | Sterimol/L: 21.4642 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 691.527 | Positive charged surface: 512.954 | Negative charged surface: 178.573 | Volume: 444.5 | |||
Hydrophobic surface: 599.575 | Hydrophilic surface: 91.952 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | 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: 1 | Oprea's lead like rule: 0 |
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