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APOLLO-ZINC01591865

 MMsINC code: MMs00049548
Type: Neutral
Formula: C6H6ClO3P
SMILES:   Clc1ccc(P(O)(O)=O)cc1
InChI:   InChI=1/C6H6ClO3P/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)

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Potential Energy
Epot(MMFF94)=-27.9489 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: 0.078918  Sterimol/B1: 2.45507  Sterimol/B2: 3.2374  Sterimol/B3: 3.25536
  Sterimol/B4: 4.94178  Sterimol/L: 11.2587 
 
 Surface and Volume Properties
  Accessible surface: 347.544  Positive charged surface: 135.608  Negative charged surface: 211.936  Volume: 148.875
  Hydrophobic surface: 210.476  Hydrophilic surface: 137.068
 
 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.