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IBS-ZINC02326565 |
MMsINC code: MMs01833162 |
Type: Neutral Formula: C24H28N4O4S
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Potential Energy Epot(MMFF94)=94.4935 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 468.578 g/mol | logS: -5.79438 | SlogP: 4.07204 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.037506 | Sterimol/B1: 3.48403 | Sterimol/B2: 3.97434 | Sterimol/B3: 5.14049 | |||
Sterimol/B4: 5.43425 | Sterimol/L: 23.3318 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 768.286 | Positive charged surface: 482.921 | Negative charged surface: 285.365 | Volume: 434.375 | |||
Hydrophobic surface: 557.81 | Hydrophilic surface: 210.476 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 4 | Hydrogen bond acceptors: 6 | 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: 1 |
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