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ENAMINE-ZINC03572300

 MMsINC code: MMs01514389
Type: Neutral
Formula: C14H10BrFN2O2
SMILES:   Brc1cc(ccc1O)\C=N\NC(=O)c1ccc(F)cc1
InChI:   InChI=1/C14H10BrFN2O2/c15-12-7-9(1-6-13(12)19)8-17-18-14(20)10-2-4-11(16)5-3-10/h1-8,19H,(H,18,20)/b17-8+

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Potential Energy
Epot(MMFF94)=80.3056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.148 g/mol  logS: -4.56157  SlogP: 3.0577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00118123  Sterimol/B1: 2.13486  Sterimol/B2: 2.28609  Sterimol/B3: 3.83698
  Sterimol/B4: 5.34931  Sterimol/L: 17.3356 
 
 Surface and Volume Properties
  Accessible surface: 520.782  Positive charged surface: 229.919  Negative charged surface: 290.862  Volume: 261.875
  Hydrophobic surface: 404.248  Hydrophilic surface: 116.534
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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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Ions/Tautomers related molecules: no related molecules available.