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PUBCHEM-ZINC06377691

 MMsINC code: MMs03691788
Type: Neutral
Formula: C16H14ClFN2O2
SMILES:   Clc1ccc(cc1)C(=O)N\N=C(/CC)\c1cc(F)ccc1O
InChI:   InChI=1/C16H14ClFN2O2/c1-2-14(13-9-12(18)7-8-15(13)21)19-20-16(22)10-3-5-11(17)6-4-10/h3-9,21H,2H2,1H3,(H,20,22)/b19-14-

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Potential Energy
Epot(MMFF94)=90.0989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.751 g/mol  logS: -4.7134  SlogP: 3.7288  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0990108  Sterimol/B1: 2.39352  Sterimol/B2: 3.09873  Sterimol/B3: 4.99098
  Sterimol/B4: 7.94565  Sterimol/L: 15.0032 
 
 Surface and Volume Properties
  Accessible surface: 548.388  Positive charged surface: 257.039  Negative charged surface: 291.35  Volume: 287.75
  Hydrophobic surface: 436.684  Hydrophilic surface: 111.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.