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PUBCHEM-ZINC06521421 |
MMsINC code: MMs03779808 |
Type: Neutral Formula: C17H17FN2O6
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Potential Energy Epot(MMFF94)=59.3265 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 364.329 g/mol | logS: -2.79344 | SlogP: 1.1428 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.0896036 | Sterimol/B1: 2.48118 | Sterimol/B2: 2.93802 | Sterimol/B3: 4.8343 | |||
Sterimol/B4: 8.56069 | Sterimol/L: 17.148 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 595.732 | Positive charged surface: 352.52 | Negative charged surface: 243.212 | Volume: 308.625 | |||
Hydrophobic surface: 382.502 | Hydrophilic surface: 213.23 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 4 | ||||||
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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