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NCID-ZINC00401545

 MMsINC code: MMs02216425
Type: Neutral
Formula: C14H11Cl2NO3
SMILES:   Clc1cc(Cl)ccc1OC(=O)Nc1ccccc1OC
InChI:   InChI=1/C14H11Cl2NO3/c1-19-13-5-3-2-4-11(13)17-14(18)20-12-7-6-9(15)8-10(12)16/h2-8H,1H3,(H,17,18)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.6963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.152 g/mol  logS: -4.91508  SlogP: 4.6129  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0612114  Sterimol/B1: 2.55232  Sterimol/B2: 3.55681  Sterimol/B3: 4.0016
  Sterimol/B4: 7.01254  Sterimol/L: 15.7904 
 
 Surface and Volume Properties
  Accessible surface: 530.329  Positive charged surface: 262.544  Negative charged surface: 267.785  Volume: 262.875
  Hydrophobic surface: 483.032  Hydrophilic surface: 47.297
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.