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ASINEX-ZINC00931004 |
MMsINC code: MMs00224656 |
Type: Neutral Formula: C29H30N2O6S
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Potential Energy Epot(MMFF94)=180.461 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 534.633 g/mol | logS: -7.12493 | SlogP: 4.9934 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.148563 | Sterimol/B1: 2.51713 | Sterimol/B2: 6.55663 | Sterimol/B3: 7.14747 | |||
Sterimol/B4: 7.50709 | Sterimol/L: 18.4352 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 817.755 | Positive charged surface: 532.73 | Negative charged surface: 285.025 | Volume: 491.25 | |||
Hydrophobic surface: 718.577 | Hydrophilic surface: 99.178 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 2 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 1 | Oprea's lead like rule: 0 |
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