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PUBCHEM-ZINC06021784

 MMsINC code: MMs03497003
Type: Neutral
Formula: C19H13Cl2NO3
SMILES:   Clc1ccc(Cl)cc1-c1oc(cc1)C(O\N=C(/C)\c1ccccc1)=O
InChI:   InChI=1/C19H13Cl2NO3/c1-12(13-5-3-2-4-6-13)22-25-19(23)18-10-9-17(24-18)15-11-14(20)7-8-16(15)21/h2-11H,1H3/b22-12-

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Potential Energy
Epot(MMFF94)=124.626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.223 g/mol  logS: -7.60371  SlogP: 5.8344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0490652  Sterimol/B1: 3.84829  Sterimol/B2: 3.88215  Sterimol/B3: 4.55745
  Sterimol/B4: 6.94977  Sterimol/L: 15.1142 
 
 Surface and Volume Properties
  Accessible surface: 601.248  Positive charged surface: 267.512  Negative charged surface: 333.736  Volume: 328.125
  Hydrophobic surface: 538.523  Hydrophilic surface: 62.725
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.