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PHARMEK-ZINC01781454 |
MMsINC code: MMs02621958 |
Type: Neutral Formula: C32H40N2O5
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Potential Energy Epot(MMFF94)=192.901 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 532.681 g/mol | logS: -7.60954 | SlogP: 4.45451 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0450737 | Sterimol/B1: 2.15658 | Sterimol/B2: 4.03429 | Sterimol/B3: 6.13069 | |||
Sterimol/B4: 6.50969 | Sterimol/L: 23.9488 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 846.931 | Positive charged surface: 565.896 | Negative charged surface: 281.036 | Volume: 525 | |||
Hydrophobic surface: 685.615 | Hydrophilic surface: 161.316 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | 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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