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AURORAFEINCHEMIE-ZINC02156877 |
MMsINC code: MMs00451873 |
Type: Neutral Formula: C16H24N2O4
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Potential Energy Epot(MMFF94)=36.1637 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 308.378 g/mol | logS: -2.72589 | SlogP: 2.03617 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0464581 | Sterimol/B1: 2.55936 | Sterimol/B2: 3.53026 | Sterimol/B3: 3.70504 | |||
Sterimol/B4: 7.30547 | Sterimol/L: 18.7105 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 598.832 | Positive charged surface: 410.245 | Negative charged surface: 188.587 | Volume: 306.625 | |||
Hydrophobic surface: 416.821 | Hydrophilic surface: 182.011 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 4 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 2 | ||||||
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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