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NCID-ZINC05832391 |
MMsINC code: MMs02503907 |
Type: Neutral Formula: C11H16BrFN2O5
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Potential Energy Epot(MMFF94)=13.1618 kcal/mol |
Physical Properties | ||||||
Molecular Weight: 355.16 g/mol | logS: -1.97373 | SlogP: 0.9495 | Reactive groups: 0 | |||
Topological Properties | ||||||
Globularity: 0.292189 | Sterimol/B1: 2.1154 | Sterimol/B2: 3.52391 | Sterimol/B3: 5.52737 | |||
Sterimol/B4: 5.91929 | Sterimol/L: 12.3315 | |||||
Surface and Volume Properties | ||||||
Accessible surface: 476.637 | Positive charged surface: 288.037 | Negative charged surface: 188.6 | Volume: 261.5 | |||
Hydrophobic surface: 214.743 | Hydrophilic surface: 261.894 | |||||
Pharmacophoric Properties | ||||||
Hydrogen bond donors: 2 | Hydrogen bond acceptors: 5 | Acid groups: 0 | Basic groups: 0 | |||
Chiral centers: 5 | ||||||
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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