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PUBCHEM-ZINC05859484

 MMsINC code: MMs03421472
Type: Neutral
Formula: C11H15Cl2O3P
SMILES:   Clc1cc(ccc1Cl)CP(OCC)(OCC)=O
InChI:   InChI=1/C11H15Cl2O3P/c1-3-15-17(14,16-4-2)8-9-5-6-10(12)11(13)7-9/h5-7H,3-4,8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.0546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.118 g/mol  logS: -3.50228  SlogP: 3.9557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100664  Sterimol/B1: 2.16205  Sterimol/B2: 3.6605  Sterimol/B3: 3.91775
  Sterimol/B4: 7.50221  Sterimol/L: 14.9667 
 
 Surface and Volume Properties
  Accessible surface: 514.722  Positive charged surface: 271.446  Negative charged surface: 243.275  Volume: 254.125
  Hydrophobic surface: 439.604  Hydrophilic surface: 75.118
 
 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.