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ENAMINE-ZINC04206734

 MMsINC code: MMs01534425
Type: Neutral
Formula: C10H7BrFNO
SMILES:   BrCc1oc(cn1)-c1ccc(F)cc1
InChI:   InChI=1/C10H7BrFNO/c11-5-10-13-6-9(14-10)7-1-3-8(12)4-2-7/h1-4,6H,5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.3373 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.074 g/mol  logS: -3.78848  SlogP: 3.642  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0207869  Sterimol/B1: 2.15932  Sterimol/B2: 2.75181  Sterimol/B3: 3.88992
  Sterimol/B4: 5.25  Sterimol/L: 13.3221 
 
 Surface and Volume Properties
  Accessible surface: 411.169  Positive charged surface: 187.97  Negative charged surface: 223.199  Volume: 192.875
  Hydrophobic surface: 277.77  Hydrophilic surface: 133.399
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.