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ENAMINE-ZINC03257870

 MMsINC code: MMs01334726
Type: Neutral
Formula: C16H13Cl2FN2O2
SMILES:   Clc1cc(Cl)cc(/C(/NNC(=O)c2ccc(F)cc2)=C/C)c1O
InChI:   InChI=1/C16H13Cl2FN2O2/c1-2-14(12-7-10(17)8-13(18)15(12)22)20-21-16(23)9-3-5-11(19)6-4-9/h2-8,20,22H,1H3,(H,21,23)/b14-2-

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Potential Energy
Epot(MMFF94)=87.5358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.196 g/mol  logS: -4.97654  SlogP: 4.1335  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0840425  Sterimol/B1: 1.969  Sterimol/B2: 4.22294  Sterimol/B3: 4.23282
  Sterimol/B4: 9.00845  Sterimol/L: 13.5996 
 
 Surface and Volume Properties
  Accessible surface: 564.977  Positive charged surface: 241.348  Negative charged surface: 323.629  Volume: 301.25
  Hydrophobic surface: 473.766  Hydrophilic surface: 91.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.