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CHEMBRIDGE-ZINC01084484

 MMsINC code: MMs00659703
Type: Neutral
Formula: C16H16Cl2N2O4
SMILES:   Clc1cc(NC(=O)Nc2cc(OC)c(OC)c(OC)c2)ccc1Cl
InChI:   InChI=1/C16H16Cl2N2O4/c1-22-13-7-10(8-14(23-2)15(13)24-3)20-16(21)19-9-4-5-11(17)12(18)6-9/h4-8H,1-3H3,(H2,19,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.22 g/mol  logS: -4.87177  SlogP: 4.6632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0483892  Sterimol/B1: 1.969  Sterimol/B2: 3.95121  Sterimol/B3: 3.97062
  Sterimol/B4: 8.94176  Sterimol/L: 17.5732 
 
 Surface and Volume Properties
  Accessible surface: 607.957  Positive charged surface: 390.191  Negative charged surface: 217.766  Volume: 318
  Hydrophobic surface: 531.848  Hydrophilic surface: 76.109
 
 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.