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CHEMBRIDGE-ZINC01175472

 MMsINC code: MMs00680301
Type: Neutral
Formula: C16H14Cl2N2O2S
SMILES:   Clc1cc(Cl)ccc1C(=O)NC(=S)Nc1ccc(OCC)cc1
InChI:   InChI=1/C16H14Cl2N2O2S/c1-2-22-12-6-4-11(5-7-12)19-16(23)20-15(21)13-8-3-10(17)9-14(13)18/h3-9H,2H2,1H3,(H2,19,20,21,23)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.651 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.272 g/mol  logS: -6.66453  SlogP: 4.5189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0136763  Sterimol/B1: 2.74084  Sterimol/B2: 3.12779  Sterimol/B3: 4.13633
  Sterimol/B4: 4.60624  Sterimol/L: 20.9016 
 
 Surface and Volume Properties
  Accessible surface: 599.277  Positive charged surface: 284.808  Negative charged surface: 314.469  Volume: 313.25
  Hydrophobic surface: 469.835  Hydrophilic surface: 129.442
 
 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.