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PUBCHEM-ZINC02743313

MMsINC code: MMs02914896

Type: Neutral
Formula: C18H20Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1OCCCC(=O)N(Cc1ccncc1)CC
InChI:   InChI=1/C18H20Cl2N2O2/c1-2-22(13-14-7-9-21-10-8-14)18(23)4-3-11-24-17-6-5-15(19)12-16(17)20/h5-10,12H,2-4,11,13H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=58.1154 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 367.276 g/mol  logS: -3.89108  SlogP: 4.8625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0567036  Sterimol/B1: 2.36135  Sterimol/B2: 3.11137  Sterimol/B3: 4.4681
  Sterimol/B4: 8.61659  Sterimol/L: 18.9396 
 
 Surface and Volume Properties
  Accessible surface: 637.529  Positive charged surface: 368.711  Negative charged surface: 268.818  Volume: 339.375
  Hydrophobic surface: 569.779  Hydrophilic surface: 67.75
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.