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AURORAFEINCHEMIE-ZINC04025723 |
MMsINC code: MMs00461379 |
Type: Ionized Formula: C23H31O5-
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Potential Energy Epot(MMFF94)=69.197 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 387.496 g/mol | logS: -5.09491 | SlogP: 2.9602 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.0689796 | Sterimol/B1: 2.11218 | Sterimol/B2: 4.08602 | Sterimol/B3: 4.92337 | |||
Sterimol/B4: 5.02942 | Sterimol/L: 20.1617 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 630.898 | Positive charged surface: 418.156 | Negative charged surface: 212.742 | Volume: 383.125 | |||
Hydrophobic surface: 433.741 | Hydrophilic surface: 197.157 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 0 | Hydrogen bond acceptors: 2 | Acid groups: 2 | Basic groups: 0 | |||
Chiral centers: 6 | ||||||
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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