Physical Properties | | | |
Molecular Weight: 400.451 g/mol | logS: -6.41262 | SlogP: 2.1254 | Reactive groups: 0 |
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Topological Properties | | | |
Globularity: 0.0668317 | Sterimol/B1: 2.40017 | Sterimol/B2: 4.40671 | Sterimol/B3: 4.50201 |
Sterimol/B4: 9.2093 | Sterimol/L: 19.1012 | | | |
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Surface and Volume Properties | | | |
Accessible surface: 695.8 | Positive charged surface: 444.856 | Negative charged surface: 250.944 | Volume: 382.125 |
Hydrophobic surface: 479.903 | Hydrophilic surface: 215.897 | | |
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Pharmacophoric Properties | | | |
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 3 | Acid groups: 2 | Basic groups: 0 |
Chiral centers: 2 | | | |
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Drug- and Lead-like Properties | | | |
Lipinski's drug-like rule: 1 | Violations of Lipinski's rule: 0 | Oprea's lead like rule: 1 | |