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CHEMBLOCK-ZINC01423280

 MMsINC code: MMs00519576
Type: Neutral
Formula: C21H16ClFN2O
SMILES:   Clc1cc2NC(=O)/C(/c2cc1)=C/c1cc(n(c1C)-c1ccc(F)cc1)C
InChI:   InChI=1/C21H16ClFN2O/c1-12-9-14(13(2)25(12)17-6-4-16(23)5-7-17)10-19-18-8-3-15(22)11-20(18)24-21(19)26/h3-11H,1-2H3,(H,24,26)/b19-10+

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Potential Energy
Epot(MMFF94)=108.513 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.823 g/mol  logS: -5.80982  SlogP: 5.37934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.078486  Sterimol/B1: 2.43216  Sterimol/B2: 3.85782  Sterimol/B3: 5.05011
  Sterimol/B4: 7.11423  Sterimol/L: 16.1157 
 
 Surface and Volume Properties
  Accessible surface: 589.235  Positive charged surface: 284.979  Negative charged surface: 304.256  Volume: 333.25
  Hydrophobic surface: 502.896  Hydrophilic surface: 86.339
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.