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CHEMDIV-ZINC03907701

 MMsINC code: MMs00919762
Type: Neutral
Formula: C18H15ClN2O4
SMILES:   Clc1ccc(cc1)-c1onc(c1)C(=O)Nc1cc(OC)c(OC)cc1
InChI:   InChI=1/C18H15ClN2O4/c1-23-15-8-7-13(9-17(15)24-2)20-18(22)14-10-16(25-21-14)11-3-5-12(19)6-4-11/h3-10H,1-2H3,(H,20,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.306 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.781 g/mol  logS: -5.38437  SlogP: 4.2645  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0130534  Sterimol/B1: 2.05968  Sterimol/B2: 2.48349  Sterimol/B3: 3.10178
  Sterimol/B4: 7.50181  Sterimol/L: 20.527 
 
 Surface and Volume Properties
  Accessible surface: 612.252  Positive charged surface: 353.071  Negative charged surface: 259.18  Volume: 315.75
  Hydrophobic surface: 518.462  Hydrophilic surface: 93.79
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.