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CHEMDIV-ZINC04881152

 MMsINC code: MMs00960311
Type: Neutral
Formula: C18H14Cl2N2O3
SMILES:   Clc1cc(ccc1Cl)-c1onc(c1)C(=O)NCc1ccc(OC)cc1
InChI:   InChI=1/C18H14Cl2N2O3/c1-24-13-5-2-11(3-6-13)10-21-18(23)16-9-17(25-22-16)12-4-7-14(19)15(20)8-12/h2-9H,10H2,1H3,(H,21,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=79.1461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.227 g/mol  logS: -6.01232  SlogP: 4.8534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0287326  Sterimol/B1: 2.65566  Sterimol/B2: 2.97235  Sterimol/B3: 4.52804
  Sterimol/B4: 6.0926  Sterimol/L: 21.2935 
 
 Surface and Volume Properties
  Accessible surface: 627.072  Positive charged surface: 309.896  Negative charged surface: 317.175  Volume: 326.125
  Hydrophobic surface: 531.537  Hydrophilic surface: 95.535
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.