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IFLAB-ZINC04076513 |
MMsINC code: MMs02013095 |
Type: Neutral Formula: C26H31ClO2
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Potential Energy Epot(MMFF94)=154.438 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 410.985 g/mol | logS: -6.32675 | SlogP: 6.2261 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0726561 | Sterimol/B1: 2.08677 | Sterimol/B2: 5.00354 | Sterimol/B3: 5.85891 | |||
Sterimol/B4: 6.3339 | Sterimol/L: 17.7166 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 645.051 | Positive charged surface: 375.199 | Negative charged surface: 269.852 | Volume: 402.625 | |||
Hydrophobic surface: 518.679 | Hydrophilic surface: 126.372 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 1 | Hydrogen bond acceptors: 2 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 6 | ||||||
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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