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PUBCHEM-ZINC06358190 |
MMsINC code: MMs03684568 |
Type: Ionized Formula: C20H25N2O7-
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Potential Energy Epot(MMFF94)=80.5848 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 405.427 g/mol | logS: -2.94443 | SlogP: -0.085 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.29276 | Sterimol/B1: 2.42382 | Sterimol/B2: 4.76032 | Sterimol/B3: 4.76304 | |||
Sterimol/B4: 8.93863 | Sterimol/L: 14.414 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 622.91 | Positive charged surface: 463.145 | Negative charged surface: 159.765 | Volume: 373.375 | |||
Hydrophobic surface: 441.604 | Hydrophilic surface: 181.306 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 6 | Acid groups: 2 | Basic groups: 0 | |||
Chiral centers: 4 | ||||||
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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