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PUBCHEM-ZINC01097932

MMsINC code: MMs02769453

Type: Neutral
Formula: C20H15Cl2NO2
SMILES:   Clc1ccc(Cl)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChI:   InChI=1/C20H15Cl2NO2/c21-15-6-11-19(22)18(12-15)20(24)23-16-7-9-17(10-8-16)25-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,23,24)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=99.639 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.251 g/mol  logS: -6.64173  SlogP: 6.0911  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0261897  Sterimol/B1: 3.30388  Sterimol/B2: 3.54976  Sterimol/B3: 4.54539
  Sterimol/B4: 4.99557  Sterimol/L: 20.4436 
 
 Surface and Volume Properties
  Accessible surface: 635.308  Positive charged surface: 289.572  Negative charged surface: 345.736  Volume: 334.5
  Hydrophobic surface: 597.527  Hydrophilic surface: 37.781
 
 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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.