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MAYBRIDGE-ZINC00124108

 MMsINC code: MMs02135859
Type: Neutral
Formula: C14H14Cl2N2O4
SMILES:   Clc1cccc(Cl)c1-n1ncc(C(OC)=O)c1C(OC)OC
InChI:   InChI=1/C14H14Cl2N2O4/c1-20-13(19)8-7-17-18(11(8)14(21-2)22-3)12-9(15)5-4-6-10(12)16/h4-7,14H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=89.2949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.182 g/mol  logS: -3.68159  SlogP: 3.3526  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127319  Sterimol/B1: 1.969  Sterimol/B2: 4.06697  Sterimol/B3: 4.89804
  Sterimol/B4: 7.94518  Sterimol/L: 14.736 
 
 Surface and Volume Properties
  Accessible surface: 513.824  Positive charged surface: 337.491  Negative charged surface: 176.332  Volume: 288.625
  Hydrophobic surface: 472.96  Hydrophilic surface: 40.864
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.