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APOLLO-ZINC02513524

 MMsINC code: MMs00052555
Type: Neutral
Formula: C11H7ClFNO2
SMILES:   ClC(=O)c1c(noc1C)-c1ccc(F)cc1
InChI:   InChI=1/C11H7ClFNO2/c1-6-9(11(12)15)10(14-16-6)7-2-4-8(13)5-3-7/h2-5H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.3325 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.633 g/mol  logS: -4.16093  SlogP: 3.16812  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.041823  Sterimol/B1: 2.60609  Sterimol/B2: 3.58363  Sterimol/B3: 3.61745
  Sterimol/B4: 5.18378  Sterimol/L: 12.7013 
 
 Surface and Volume Properties
  Accessible surface: 407.737  Positive charged surface: 141.458  Negative charged surface: 266.279  Volume: 198.125
  Hydrophobic surface: 283.663  Hydrophilic surface: 124.074
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.