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NCID-ZINC00674787

 MMsINC code: MMs02217840
Type: Neutral
Formula: C16H14Cl2N2O3S
SMILES:   Clc1cc(Cl)ccc1C(=O)NC(=S)Nc1cc(OC)ccc1OC
InChI:   InChI=1/C16H14Cl2N2O3S/c1-22-10-4-6-14(23-2)13(8-10)19-16(24)20-15(21)11-5-3-9(17)7-12(11)18/h3-8H,1-2H3,(H2,19,20,21,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=145.771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.271 g/mol  logS: -6.3877  SlogP: 4.1374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0275284  Sterimol/B1: 2.53727  Sterimol/B2: 2.54075  Sterimol/B3: 4.14106
  Sterimol/B4: 8.85394  Sterimol/L: 18.0112 
 
 Surface and Volume Properties
  Accessible surface: 608.003  Positive charged surface: 331.467  Negative charged surface: 276.536  Volume: 323.125
  Hydrophobic surface: 494.65  Hydrophilic surface: 113.353
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.