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PUBCHEM-ZINC06292716

 MMsINC code: MMs03660169
Type: Neutral
Formula: C16H13Cl2FN2O2
SMILES:   Clc1cc(Cl)ccc1OCC(=O)N\N=C(/C)\c1ccc(F)cc1
InChI:   InChI=1/C16H13Cl2FN2O2/c1-10(11-2-5-13(19)6-3-11)20-21-16(22)9-23-15-7-4-12(17)8-14(15)18/h2-8H,9H2,1H3,(H,21,22)/b20-10-

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=110.867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.196 g/mol  logS: -5.68469  SlogP: 4.0517  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0228664  Sterimol/B1: 2.49037  Sterimol/B2: 2.74346  Sterimol/B3: 3.02073
  Sterimol/B4: 7.96968  Sterimol/L: 16.7483 
 
 Surface and Volume Properties
  Accessible surface: 587.251  Positive charged surface: 252.19  Negative charged surface: 335.061  Volume: 301
  Hydrophobic surface: 522.001  Hydrophilic surface: 65.25
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.