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PUBCHEM-ZINC04211028 |
MMsINC code: MMs03101208 |
Type: Neutral Formula: C32H41N5O2
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Potential Energy Epot(MMFF94)=188.221 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 527.713 g/mol | logS: -7.48654 | SlogP: 7.4051 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.145086 | Sterimol/B1: 2.19055 | Sterimol/B2: 5.49012 | Sterimol/B3: 5.83991 | |||
Sterimol/B4: 14.2197 | Sterimol/L: 18.5532 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 904.781 | Positive charged surface: 655.873 | Negative charged surface: 248.908 | Volume: 542.125 | |||
Hydrophobic surface: 717.846 | Hydrophilic surface: 186.935 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 0 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 0 | Violations of Lipinski's rule: 2 | Oprea's lead like rule: 0 |
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