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NCID-ZINC05329757

 MMsINC code: MMs02451945
Type: Neutral
Formula: C14H9Cl2NO2
SMILES:   Clc1c2cc(OC)ccc2[n+]([O-])c2c1ccc(Cl)c2
InChI:   InChI=1/C14H9Cl2NO2/c1-19-9-3-5-12-11(7-9)14(16)10-4-2-8(15)6-13(10)17(12)18/h2-7H,1H3

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Potential Energy
Epot(MMFF94)=86.3224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.137 g/mol  logS: -5.67235  SlogP: 3.9418  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00486754  Sterimol/B1: 2.37431  Sterimol/B2: 2.37608  Sterimol/B3: 4.81616
  Sterimol/B4: 5.02127  Sterimol/L: 15.5309 
 
 Surface and Volume Properties
  Accessible surface: 466.267  Positive charged surface: 200.74  Negative charged surface: 254.422  Volume: 246.5
  Hydrophobic surface: 427.019  Hydrophilic surface: 39.248
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.