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CHEMDIV-ZINC04571701 |
MMsINC code: MMs00938120 |
Type: Neutral Formula: C22H27N3O4
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Potential Energy Epot(MMFF94)=88.6072 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 397.475 g/mol | logS: -4.35255 | SlogP: 2.7544 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0341712 | Sterimol/B1: 3.10822 | Sterimol/B2: 3.62971 | Sterimol/B3: 4.41917 | |||
Sterimol/B4: 7.99087 | Sterimol/L: 23.9892 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 749.757 | Positive charged surface: 489.011 | Negative charged surface: 260.747 | Volume: 394.125 | |||
Hydrophobic surface: 602.992 | Hydrophilic surface: 146.765 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | 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: 0 | Oprea's lead like rule: 1 |
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