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NCID-ZINC04963514

 MMsINC code: MMs02420156
Type: Neutral
Formula: C14H11Cl2NO2
SMILES:   Clc1cc(\C=N/OCc2cc(Cl)ccc2)c(O)cc1
InChI:   InChI=1/C14H11Cl2NO2/c15-12-3-1-2-10(6-12)9-19-17-8-11-7-13(16)4-5-14(11)18/h1-8,18H,9H2/b17-8-

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Potential Energy
Epot(MMFF94)=76.4867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.153 g/mol  logS: -4.49307  SlogP: 4.5161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10898  Sterimol/B1: 2.50315  Sterimol/B2: 4.51374  Sterimol/B3: 4.81809
  Sterimol/B4: 5.62368  Sterimol/L: 13.0926 
 
 Surface and Volume Properties
  Accessible surface: 492.77  Positive charged surface: 240.132  Negative charged surface: 252.638  Volume: 259.625
  Hydrophobic surface: 402.701  Hydrophilic surface: 90.069
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.