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NCID-ZINC01555757

 MMsINC code: MMs02219387
Type: Neutral
Formula: C14H14Cl2N2O3
SMILES:   Clc1nc(nc(Cl)c1)Cc1cc(OC)c(OC)c(OC)c1
InChI:   InChI=1/C14H14Cl2N2O3/c1-19-9-4-8(5-10(20-2)14(9)21-3)6-13-17-11(15)7-12(16)18-13/h4-5,7H,6H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.9439 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.183 g/mol  logS: -4.16473  SlogP: 3.39997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0989098  Sterimol/B1: 2.35134  Sterimol/B2: 3.04125  Sterimol/B3: 3.90477
  Sterimol/B4: 9.50766  Sterimol/L: 13.9246 
 
 Surface and Volume Properties
  Accessible surface: 563.611  Positive charged surface: 354.827  Negative charged surface: 208.784  Volume: 283.875
  Hydrophobic surface: 506.952  Hydrophilic surface: 56.659
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.