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NCID-ZINC04823508 |
MMsINC code: MMs02409956 |
Type: Neutral Formula: C33H43Cl2NO4
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Potential Energy Epot(MMFF94)=193.67 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 588.616 g/mol | logS: -9.70375 | SlogP: 6.77347 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0621617 | Sterimol/B1: 2.34905 | Sterimol/B2: 2.68258 | Sterimol/B3: 6.70005 | |||
Sterimol/B4: 9.64742 | Sterimol/L: 21.0986 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 891.772 | Positive charged surface: 534.171 | Negative charged surface: 357.601 | Volume: 561.875 | |||
Hydrophobic surface: 606.639 | Hydrophilic surface: 285.133 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 0 | Hydrogen bond acceptors: 3 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 6 | ||||||
Drug- and Lead-like Properties | ||||||
Lipinski's drug-like rule: 0 | Violations of Lipinski's rule: 2 | Oprea's lead like rule: 0 |
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