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IBS-ZINC05046790 |
MMsINC code: MMs01917191 |
Type: Neutral Formula: C18H20N2O4
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Potential Energy Epot(MMFF94)=147.76 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 328.368 g/mol | logS: -2.18014 | SlogP: 1.6974 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0853175 | Sterimol/B1: 2.54335 | Sterimol/B2: 3.12563 | Sterimol/B3: 4.48718 | |||
Sterimol/B4: 8.94417 | Sterimol/L: 14.6934 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 539.323 | Positive charged surface: 375.273 | Negative charged surface: 164.05 | Volume: 302 | |||
Hydrophobic surface: 372.859 | Hydrophilic surface: 166.464 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 4 | 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: 0 | Oprea's lead like rule: 1 |
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