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CHEMBRIDGE-ZINC01229902

 MMsINC code: MMs00692047
Type: Neutral
Formula: C6H7O2PS
SMILES:   S=P(O)(O)c1ccccc1
InChI:   InChI=1/C6H7O2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H,(H2,7,8,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-13.1768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.16 g/mol  logS: -1.99816  SlogP: 0.606  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0846822  Sterimol/B1: 2.51488  Sterimol/B2: 3.60853  Sterimol/B3: 3.68645
  Sterimol/B4: 4.51468  Sterimol/L: 10.0325 
 
 Surface and Volume Properties
  Accessible surface: 338.744  Positive charged surface: 148.852  Negative charged surface: 189.892  Volume: 147.5
  Hydrophobic surface: 181.885  Hydrophilic surface: 156.859
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.