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CHEMSTAR-ZINC02807365

 MMsINC code: MMs01082450
Type: Neutral
Formula: C6H7O3P
SMILES:   [PH](O)(=O)c1ccccc1O
InChI:   InChI=1/C6H7O3P/c7-5-3-1-2-4-6(5)10(8)9/h1-4,7,10H,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.5699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.093 g/mol  logS: -1.08488  SlogP: -0.5857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0504877  Sterimol/B1: 2.45426  Sterimol/B2: 2.81235  Sterimol/B3: 3.57799
  Sterimol/B4: 4.42299  Sterimol/L: 10.086 
 
 Surface and Volume Properties
  Accessible surface: 320.692  Positive charged surface: 149.965  Negative charged surface: 170.727  Volume: 133
  Hydrophobic surface: 193.117  Hydrophilic surface: 127.575
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.