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CHEMDIV-ZINC05135478

 MMsINC code: MMs00990968
Type: Neutral
Formula: C16H14Cl2N2OS
SMILES:   Clc1ccccc1CNC(=O)c1n(c2cc(Cl)sc2c1)CC
InChI:   InChI=1/C16H14Cl2N2OS/c1-2-20-12-8-15(18)22-14(12)7-13(20)16(21)19-9-10-5-3-4-6-11(10)17/h3-8H,2,9H2,1H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=26.0342 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.273 g/mol  logS: -5.36534  SlogP: 5.4923  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0632205  Sterimol/B1: 2.49868  Sterimol/B2: 3.74207  Sterimol/B3: 4.35426
  Sterimol/B4: 7.8509  Sterimol/L: 16.867 
 
 Surface and Volume Properties
  Accessible surface: 571.905  Positive charged surface: 250.405  Negative charged surface: 321.5  Volume: 308
  Hydrophobic surface: 511.885  Hydrophilic surface: 60.02
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.