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NCID-ZINC04934045 |
MMsINC code: MMs02416913 |
Type: Ionized Formula: C31H33N4O2-
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Potential Energy Epot(MMFF94)=47.7403 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 493.631 g/mol | logS: -6.12296 | SlogP: 3.96091 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.034705 | Sterimol/B1: 2.19177 | Sterimol/B2: 2.68716 | Sterimol/B3: 4.21928 | |||
Sterimol/B4: 13.0428 | Sterimol/L: 18.0294 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 781.645 | Positive charged surface: 467.414 | Negative charged surface: 314.231 | Volume: 498.625 | |||
Hydrophobic surface: 619.124 | Hydrophilic surface: 162.521 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 2 | Basic groups: 0 | |||
Chiral centers: 0 | ||||||
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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