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NCID-ZINC01591866

 MMsINC code: MMs02246405
Type: Neutral
Formula: C6H6ClO3P
SMILES:   Clc1ccccc1P(O)(O)=O
InChI:   InChI=1/C6H6ClO3P/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-27.7127 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.538 g/mol  logS: -1.47917  SlogP: 0.0728  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676403  Sterimol/B1: 2.42555  Sterimol/B2: 2.48279  Sterimol/B3: 3.6574
  Sterimol/B4: 5.96452  Sterimol/L: 10.0158 
 
 Surface and Volume Properties
  Accessible surface: 337.885  Positive charged surface: 138.856  Negative charged surface: 199.028  Volume: 147.875
  Hydrophobic surface: 211.278  Hydrophilic surface: 126.607
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.