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ASINEX-ZINC01755748

 MMsINC code: MMs00256387
Type: Neutral
Formula: C6H7O3P
SMILES:   [PH](Oc1ccccc1)(O)=O
InChI:   InChI=1/C6H7O3P/c7-10(8)9-6-4-2-1-3-5-6/h1-5,10H,(H,7,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.45236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.093 g/mol  logS: -1.57961  SlogP: 0.3772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0545063  Sterimol/B1: 2.77516  Sterimol/B2: 3.03382  Sterimol/B3: 3.61159
  Sterimol/B4: 3.70787  Sterimol/L: 10.9782 
 
 Surface and Volume Properties
  Accessible surface: 325.573  Positive charged surface: 146.215  Negative charged surface: 179.358  Volume: 133.75
  Hydrophobic surface: 216.451  Hydrophilic surface: 109.122
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.