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ASINEX-ZINC00677111

 MMsINC code: MMs00148251
Type: Neutral
Formula: C13H10Cl4N2OS
SMILES:   Clc1ccccc1NC(NC(=O)c1sccc1)C(Cl)(Cl)Cl
InChI:   InChI=1/C13H10Cl4N2OS/c14-8-4-1-2-5-9(8)18-12(13(15,16)17)19-11(20)10-6-3-7-21-10/h1-7,12,18H,(H,19,20)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=71.3285 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.114 g/mol  logS: -5.95126  SlogP: 5.3596  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13228  Sterimol/B1: 2.58772  Sterimol/B2: 3.12141  Sterimol/B3: 5.55792
  Sterimol/B4: 7.82422  Sterimol/L: 13.8572 
 
 Surface and Volume Properties
  Accessible surface: 548.927  Positive charged surface: 149.949  Negative charged surface: 398.978  Volume: 299.875
  Hydrophobic surface: 368.895  Hydrophilic surface: 180.032
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.