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PUBCHEM-ZINC05761019

 MMsINC code: MMs03374250
Type: Neutral
Formula: C15H15Cl2O3P
SMILES:   Clc1ccccc1OP(Oc1ccccc1Cl)(=O)C(C)C
InChI:   InChI=1/C15H15Cl2O3P/c1-11(2)21(18,19-14-9-5-3-7-12(14)16)20-15-10-6-4-8-13(15)17/h3-11H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.723 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.162 g/mol  logS: -5.13854  SlogP: 4.9825  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.22341  Sterimol/B1: 2.3971  Sterimol/B2: 3.91098  Sterimol/B3: 4.88858
  Sterimol/B4: 8.3065  Sterimol/L: 12.9729 
 
 Surface and Volume Properties
  Accessible surface: 525.42  Positive charged surface: 255.315  Negative charged surface: 270.105  Volume: 297.125
  Hydrophobic surface: 479.997  Hydrophilic surface: 45.423
 
 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.