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NCID-ZINC01732365

 MMsINC code: MMs02355132
Type: Neutral
Formula: C12H9Cl2O4P
SMILES:   Clc1cc(OP(Oc2cc(Cl)ccc2)(O)=O)ccc1
InChI:   InChI=1/C12H9Cl2O4P/c13-9-3-1-5-11(7-9)17-19(15,16)18-12-6-2-4-10(14)8-12/h1-8H,(H,15,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.4316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.08 g/mol  logS: -4.3935  SlogP: 3.4814  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.039677  Sterimol/B1: 2.53413  Sterimol/B2: 3.27361  Sterimol/B3: 3.57887
  Sterimol/B4: 5.97491  Sterimol/L: 14.5261 
 
 Surface and Volume Properties
  Accessible surface: 503.066  Positive charged surface: 184.718  Negative charged surface: 318.349  Volume: 250.25
  Hydrophobic surface: 423.551  Hydrophilic surface: 79.515
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.