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ASINEX-ZINC04736890 |
MMsINC code: MMs00368484 |
Type: Ionized Formula: C20H21N4O3S-
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Potential Energy Epot(MMFF94)=94.6956 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 397.479 g/mol | logS: -5.32233 | SlogP: 3.547 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0283624 | Sterimol/B1: 1.969 | Sterimol/B2: 3.20925 | Sterimol/B3: 3.26045 | |||
Sterimol/B4: 11.4866 | Sterimol/L: 18.5849 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 669.786 | Positive charged surface: 353.344 | Negative charged surface: 316.442 | Volume: 365.5 | |||
Hydrophobic surface: 501.051 | Hydrophilic surface: 168.735 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 3 | Basic groups: 0 | |||
Chiral centers: 0 | ||||||
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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