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CHEMBRIDGE-ZINC00273732

 MMsINC code: MMs00599847
Type: Neutral
Formula: C15H13ClN2O3
SMILES:   Clc1cc(O)c(cc1)C(=O)N\N=C\c1ccc(OC)cc1
InChI:   InChI=1/C15H13ClN2O3/c1-21-12-5-2-10(3-6-12)9-17-18-15(20)13-7-4-11(16)8-14(13)19/h2-9,19H,1H3,(H,18,20)/b17-9+

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Potential Energy
Epot(MMFF94)=96.8939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.733 g/mol  logS: -3.96087  SlogP: 2.8181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00299996  Sterimol/B1: 2.35784  Sterimol/B2: 2.39164  Sterimol/B3: 3.13576
  Sterimol/B4: 5.71581  Sterimol/L: 19.4975 
 
 Surface and Volume Properties
  Accessible surface: 552.385  Positive charged surface: 313.086  Negative charged surface: 239.299  Volume: 273.25
  Hydrophobic surface: 427.346  Hydrophilic surface: 125.039
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.