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NCID-ZINC01713355

 MMsINC code: MMs02339873
Type: Neutral
Formula: C18H12Cl3O4P
SMILES:   Clc1ccccc1OP(Oc1ccccc1Cl)(Oc1ccccc1Cl)=O
InChI:   InChI=1/C18H12Cl3O4P/c19-13-7-1-4-10-16(13)23-26(22,24-17-11-5-2-8-14(17)20)25-18-12-6-3-9-15(18)21/h1-12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.4854 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.623 g/mol  logS: -7.17505  SlogP: 6.2215  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.098095  Sterimol/B1: 3.10636  Sterimol/B2: 5.33159  Sterimol/B3: 5.76979
  Sterimol/B4: 5.88666  Sterimol/L: 14.3952 
 
 Surface and Volume Properties
  Accessible surface: 567.841  Positive charged surface: 231.547  Negative charged surface: 336.293  Volume: 343
  Hydrophobic surface: 534.233  Hydrophilic surface: 33.608
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.