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ANALYTICONDISCOVERY-ZINC05433977 |
MMsINC code: MMs00037873 |
Type: Neutral Formula: C20H24N4O3S
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Potential Energy Epot(MMFF94)=74.72 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 400.503 g/mol | logS: -4.66137 | SlogP: 2.5724 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0309193 | Sterimol/B1: 3.45934 | Sterimol/B2: 3.53228 | Sterimol/B3: 3.93359 | |||
Sterimol/B4: 6.19177 | Sterimol/L: 22.2467 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 686.711 | Positive charged surface: 466.582 | Negative charged surface: 220.129 | Volume: 370.5 | |||
Hydrophobic surface: 577.977 | Hydrophilic surface: 108.734 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 4 | ||||||
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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