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NCID-ZINC05339268 |
MMsINC code: MMs02452359 |
Type: Neutral Formula: C33H38N4O4
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Potential Energy Epot(MMFF94)=221.995 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 554.691 g/mol | logS: -6.95812 | SlogP: 3.84907 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.283944 | Sterimol/B1: 2.56278 | Sterimol/B2: 4.9946 | Sterimol/B3: 8.02571 | |||
Sterimol/B4: 9.2699 | Sterimol/L: 18.3731 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 807.008 | Positive charged surface: 487.094 | Negative charged surface: 319.914 | Volume: 547.625 | |||
Hydrophobic surface: 710.989 | Hydrophilic surface: 96.019 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 5 | 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: 1 | Oprea's lead like rule: 0 |
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