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PUBCHEM-ZINC06415395 |
MMsINC code: MMs03716429 |
Type: Neutral Formula: C22H31FO5
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Potential Energy Epot(MMFF94)=193.129 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 394.483 g/mol | logS: -2.757 | SlogP: 2.5396 | Reactive groups: 1 | |||
Topological Properties | ||||||
Globularity: 0.128132 | Sterimol/B1: 2.51003 | Sterimol/B2: 2.52068 | Sterimol/B3: 4.53835 | |||
Sterimol/B4: 7.23207 | Sterimol/L: 15.2804 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 556.29 | Positive charged surface: 368.264 | Negative charged surface: 188.026 | Volume: 362.125 | |||
Hydrophobic surface: 340.715 | Hydrophilic surface: 215.575 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 3 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 8 | ||||||
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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