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CHEMSTAR-ZINC00485123

 MMsINC code: MMs01075348
Type: Neutral
Formula: C19H15ClN2O2
SMILES:   Clc1ccc(cc1)C(=O)N\N=C\c1c2c(ccc1OC)cccc2
InChI:   InChI=1/C19H15ClN2O2/c1-24-18-11-8-13-4-2-3-5-16(13)17(18)12-21-22-19(23)14-6-9-15(20)10-7-14/h2-12H,1H3,(H,22,23)/b21-12+

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Potential Energy
Epot(MMFF94)=119.74 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.794 g/mol  logS: -6.2007  SlogP: 4.2657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00222165  Sterimol/B1: 2.04972  Sterimol/B2: 2.37266  Sterimol/B3: 2.37772
  Sterimol/B4: 9.26306  Sterimol/L: 18.4053 
 
 Surface and Volume Properties
  Accessible surface: 588.013  Positive charged surface: 315.67  Negative charged surface: 261.526  Volume: 316.375
  Hydrophobic surface: 521.261  Hydrophilic surface: 66.752
 
 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.