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PUBCHEM-ZINC05632968 |
MMsINC code: MMs03330249 |
Type: Neutral Formula: C20H30N2O4
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Potential Energy Epot(MMFF94)=81.8307 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 362.47 g/mol | logS: -4.87973 | SlogP: 2.37547 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0738788 | Sterimol/B1: 2.08717 | Sterimol/B2: 3.45335 | Sterimol/B3: 5.4113 | |||
Sterimol/B4: 8.34059 | Sterimol/L: 18.0676 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 661.622 | Positive charged surface: 422.47 | Negative charged surface: 239.152 | Volume: 368.125 | |||
Hydrophobic surface: 451.32 | Hydrophilic surface: 210.302 | |||||
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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