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CHEMDIV-ZINC04778550 |
MMsINC code: MMs00953202 |
Type: Neutral Formula: C25H32N2O2
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Potential Energy Epot(MMFF94)=100.804 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 392.543 g/mol | logS: -6.94779 | SlogP: 5.05627 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.037715 | Sterimol/B1: 2.19999 | Sterimol/B2: 4.92511 | Sterimol/B3: 5.21033 | |||
Sterimol/B4: 7.35783 | Sterimol/L: 19.228 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 700.862 | Positive charged surface: 477.658 | Negative charged surface: 223.203 | Volume: 409.75 | |||
Hydrophobic surface: 611.252 | Hydrophilic surface: 89.61 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 1 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 1 |
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