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AURORAFEINCHEMIE-ZINC02565750

 MMsINC code: MMs00454874
Type: Neutral
Formula: C6H6ClO2P
SMILES:   Clc1ccc([PH](O)=O)cc1
InChI:   InChI=1/C6H6ClO2P/c7-5-1-3-6(4-2-5)10(8)9/h1-4,10H,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.83591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.539 g/mol  logS: -2.18112  SlogP: 0.3621  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0408372  Sterimol/B1: 2.38372  Sterimol/B2: 2.47217  Sterimol/B3: 2.80999
  Sterimol/B4: 5.00438  Sterimol/L: 11.2973 
 
 Surface and Volume Properties
  Accessible surface: 336.209  Positive charged surface: 114.178  Negative charged surface: 222.031  Volume: 143.25
  Hydrophobic surface: 243.824  Hydrophilic surface: 92.385
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.