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MAYBRIDGE-ZINC00142451

 MMsINC code: MMs02139853
Type: Neutral
Formula: C13H11ClFNO2
SMILES:   ClC=1C(OC(=CC=1N(C)C)c1ccc(F)cc1)=O
InChI:   InChI=1/C13H11ClFNO2/c1-16(2)10-7-11(18-13(17)12(10)14)8-3-5-9(15)6-4-8/h3-7H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.0671 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.687 g/mol  logS: -4.4021  SlogP: 2.8443  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0541158  Sterimol/B1: 2.34996  Sterimol/B2: 3.73249  Sterimol/B3: 4.62126
  Sterimol/B4: 5.9699  Sterimol/L: 13.4442 
 
 Surface and Volume Properties
  Accessible surface: 459.015  Positive charged surface: 259.39  Negative charged surface: 199.626  Volume: 233.5
  Hydrophobic surface: 403.494  Hydrophilic surface: 55.521
 
 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.