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SIAL-ZINC03091230

 MMsINC code: MMs03914999
Type: Neutral
Formula: C8H11O3P
SMILES:   P(O)(O)(=O)c1cccc(C)c1C
InChI:   InChI=1/C8H11O3P/c1-6-4-3-5-8(7(6)2)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.29983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.147 g/mol  logS: -1.37927  SlogP: 0.03624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0806657  Sterimol/B1: 2.77416  Sterimol/B2: 3.08403  Sterimol/B3: 3.56887
  Sterimol/B4: 5.6878  Sterimol/L: 10.8045 
 
 Surface and Volume Properties
  Accessible surface: 361.564  Positive charged surface: 188.165  Negative charged surface: 173.399  Volume: 167
  Hydrophobic surface: 236.779  Hydrophilic surface: 124.785
 
 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.