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ASINEX-ZINC04902646 |
MMsINC code: MMs00399502 |
Type: Neutral Formula: C20H26ClN5O2
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Potential Energy Epot(MMFF94)=61.3393 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 403.914 g/mol | logS: -4.30053 | SlogP: 3.8338 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.121684 | Sterimol/B1: 2.72 | Sterimol/B2: 3.45223 | Sterimol/B3: 6.11387 | |||
Sterimol/B4: 9.93869 | Sterimol/L: 16.3222 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 681.784 | Positive charged surface: 448.985 | Negative charged surface: 232.799 | Volume: 381 | |||
Hydrophobic surface: 593.26 | Hydrophilic surface: 88.524 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 3 | Acid groups: 0 | 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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