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NCID-ZINC01694640

 MMsINC code: MMs02325808
Type: Neutral
Formula: C13H18Cl3O4P
SMILES:   Clc1cc(Cl)c(Cl)cc1OCCCP(OCC)(OCC)=O
InChI:   InChI=1/C13H18Cl3O4P/c1-3-19-21(17,20-4-2)7-5-6-18-13-9-11(15)10(14)8-12(13)16/h8-9H,3-7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.1394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.616 g/mol  logS: -4.51516  SlogP: 4.6116  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0388708  Sterimol/B1: 2.09128  Sterimol/B2: 2.65606  Sterimol/B3: 4.71079
  Sterimol/B4: 7.97687  Sterimol/L: 18.5156 
 
 Surface and Volume Properties
  Accessible surface: 635.077  Positive charged surface: 323.807  Negative charged surface: 311.27  Volume: 315.375
  Hydrophobic surface: 552.003  Hydrophilic surface: 83.074
 
 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.