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PUBCHEM-ZINC06292715

 MMsINC code: MMs03660168
Type: Neutral
Formula: C18H16Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1OCC(=O)N\N=C(\C=C\c1ccccc1)/C
InChI:   InChI=1/C18H16Cl2N2O2/c1-13(7-8-14-5-3-2-4-6-14)21-22-18(23)12-24-17-10-9-15(19)11-16(17)20/h2-11H,12H2,1H3,(H,22,23)/b8-7+,21-13-

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Potential Energy
Epot(MMFF94)=117.273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.244 g/mol  logS: -5.89553  SlogP: 4.5777  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00402206  Sterimol/B1: 2.31255  Sterimol/B2: 2.34094  Sterimol/B3: 2.49335
  Sterimol/B4: 9.19312  Sterimol/L: 18.903 
 
 Surface and Volume Properties
  Accessible surface: 641.167  Positive charged surface: 282.149  Negative charged surface: 359.018  Volume: 329.625
  Hydrophobic surface: 568.7  Hydrophilic surface: 72.467
 
 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.