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ASINEX-ZINC00934192 |
MMsINC code: MMs00226248 |
Type: Neutral Formula: C21H25N5O5S
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Potential Energy Epot(MMFF94)=112.637 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 459.527 g/mol | logS: -3.53057 | SlogP: 2.3158 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0762779 | Sterimol/B1: 2.25989 | Sterimol/B2: 2.61592 | Sterimol/B3: 5.4507 | |||
Sterimol/B4: 9.86096 | Sterimol/L: 17.7359 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 701.061 | Positive charged surface: 466.209 | Negative charged surface: 200.795 | Volume: 408.125 | |||
Hydrophobic surface: 598.289 | Hydrophilic surface: 102.772 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 0 | Hydrogen bond acceptors: 8 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 1 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 0 |
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