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ASINEX-ZINC00864245 |
MMsINC code: MMs00198673 |
Type: Ionized Formula: C19H24N3O4S-
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Potential Energy Epot(MMFF94)=32.607 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 390.484 g/mol | logS: -2.59016 | SlogP: 2.1916 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0822924 | Sterimol/B1: 2.77849 | Sterimol/B2: 4.84083 | Sterimol/B3: 5.75574 | |||
Sterimol/B4: 6.3643 | Sterimol/L: 16.7218 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 639.059 | Positive charged surface: 383.404 | Negative charged surface: 255.655 | Volume: 358.625 | |||
Hydrophobic surface: 460.537 | Hydrophilic surface: 178.522 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 2 | Acid groups: 3 | 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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