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CHEMSTAR-ZINC04511654

 MMsINC code: MMs01113841
Type: Neutral
Formula: C18H12Cl2N2O2S
SMILES:   Clc1cc(ccc1)C(=O)N\N=C/c1oc(Sc2ccc(Cl)cc2)cc1
InChI:   InChI=1/C18H12Cl2N2O2S/c19-13-4-7-16(8-5-13)25-17-9-6-15(24-17)11-21-22-18(23)12-2-1-3-14(20)10-12/h1-11H,(H,22,23)/b21-11-

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Potential Energy
Epot(MMFF94)=89.3873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.278 g/mol  logS: -7.91482  SlogP: 5.5015  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117528  Sterimol/B1: 3.61101  Sterimol/B2: 4.39643  Sterimol/B3: 4.52639
  Sterimol/B4: 8.10182  Sterimol/L: 14.4206 
 
 Surface and Volume Properties
  Accessible surface: 590.893  Positive charged surface: 248.068  Negative charged surface: 342.825  Volume: 333.25
  Hydrophobic surface: 502.213  Hydrophilic surface: 88.68
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.