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CHEMDIV-ZINC05146544 |
MMsINC code: MMs00991975 |
Type: Neutral Formula: C23H32N2O2
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Potential Energy Epot(MMFF94)=81.0133 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 368.521 g/mol | logS: -4.01482 | SlogP: 5.29854 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0822251 | Sterimol/B1: 2.59461 | Sterimol/B2: 3.67981 | Sterimol/B3: 4.19405 | |||
Sterimol/B4: 7.84021 | Sterimol/L: 17.7255 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 654.42 | Positive charged surface: 424.736 | Negative charged surface: 229.684 | Volume: 390.875 | |||
Hydrophobic surface: 511.534 | Hydrophilic surface: 142.886 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 3 | ||||||
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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