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CHEMDIV-ZINC00307178

 MMsINC code: MMs00849335
Type: Neutral
Formula: C11H7F4NO2
SMILES:   FC(F)(C(F)F)c1noc(c1)-c1ccccc1O
InChI:   InChI=1/C11H7F4NO2/c12-10(13)11(14,15)9-5-8(18-16-9)6-3-1-2-4-7(6)17/h1-5,10,17H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.2875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.174 g/mol  logS: -3.42239  SlogP: 4.1355  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0391599  Sterimol/B1: 2.45859  Sterimol/B2: 2.70927  Sterimol/B3: 3.47339
  Sterimol/B4: 5.51866  Sterimol/L: 14.1522 
 
 Surface and Volume Properties
  Accessible surface: 428.442  Positive charged surface: 172.22  Negative charged surface: 256.222  Volume: 197.625
  Hydrophobic surface: 231.252  Hydrophilic surface: 197.19
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.