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CHEMSTAR-ZINC04579596

 MMsINC code: MMs01120113
Type: Neutral
Formula: C18H13ClN2O2
SMILES:   Clc1ccccc1\C=N/NC(=O)c1cc2c(cc1O)cccc2
InChI:   InChI=1/C18H13ClN2O2/c19-16-8-4-3-7-14(16)11-20-21-18(23)15-9-12-5-1-2-6-13(12)10-17(15)22/h1-11,22H,(H,21,23)/b20-11-

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Potential Energy
Epot(MMFF94)=130.274 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.767 g/mol  logS: -5.78837  SlogP: 3.9627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0260245  Sterimol/B1: 2.55846  Sterimol/B2: 3.24439  Sterimol/B3: 3.4114
  Sterimol/B4: 8.01191  Sterimol/L: 15.1261 
 
 Surface and Volume Properties
  Accessible surface: 537.783  Positive charged surface: 257.629  Negative charged surface: 269.869  Volume: 294.125
  Hydrophobic surface: 420.653  Hydrophilic surface: 117.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.