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NCID-ZINC01591864

 MMsINC code: MMs02246404
Type: Neutral
Formula: C6H6ClO3P
SMILES:   Clc1cc(P(O)(O)=O)ccc1
InChI:   InChI=1/C6H6ClO3P/c7-5-2-1-3-6(4-5)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)=-29.7271 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: 0.0826243  Sterimol/B1: 2.4941  Sterimol/B2: 3.12199  Sterimol/B3: 3.37254
  Sterimol/B4: 5.96783  Sterimol/L: 10.0069 
 
 Surface and Volume Properties
  Accessible surface: 347.252  Positive charged surface: 134.371  Negative charged surface: 212.882  Volume: 148.375
  Hydrophobic surface: 211.497  Hydrophilic surface: 135.755
 
 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.