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PUBCHEM-ZINC05527407

MMsINC code: MMs03298174

Type: Neutral
Formula: C18H18Cl2N2O3
SMILES:   Clc1cc(Cl)ccc1OCCCC(=O)N\N=C\c1cc(OC)ccc1
InChI:   InChI=1/C18H18Cl2N2O3/c1-24-15-5-2-4-13(10-15)12-21-22-18(23)6-3-9-25-17-8-7-14(19)11-16(17)20/h2,4-5,7-8,10-12H,3,6,9H2,1H3,(H,22,23)/b21-12+

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Potential Energy
Epot(MMFF94)=91.6822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.259 g/mol  logS: -5.21762  SlogP: 4.3113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00388954  Sterimol/B1: 2.37447  Sterimol/B2: 2.37955  Sterimol/B3: 3.3471
  Sterimol/B4: 5.64045  Sterimol/L: 24.3003 
 
 Surface and Volume Properties
  Accessible surface: 671.964  Positive charged surface: 374.355  Negative charged surface: 297.609  Volume: 343.875
  Hydrophobic surface: 581.725  Hydrophilic surface: 90.239
 
 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.