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CHEMBRIDGE-ZINC00479849

MMsINC code: MMs00629897

Type: Neutral
Formula: C15H13F2NO2
SMILES:   Fc1cc(NC(=O)C(OC)c2ccccc2)ccc1F
InChI:   InChI=1/C15H13F2NO2/c1-20-14(10-5-3-2-4-6-10)15(19)18-11-7-8-12(16)13(17)9-11/h2-9,14H,1H3,(H,18,19)/t14-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=82.2972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.27 g/mol  logS: -4.08747  SlogP: 3.3865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16247  Sterimol/B1: 2.29587  Sterimol/B2: 3.32899  Sterimol/B3: 4.29734
  Sterimol/B4: 7.7498  Sterimol/L: 13.3376 
 
 Surface and Volume Properties
  Accessible surface: 496.979  Positive charged surface: 283.088  Negative charged surface: 213.891  Volume: 252
  Hydrophobic surface: 460.877  Hydrophilic surface: 36.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.