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NCID-ZINC00395599

 MMsINC code: MMs02215442
Type: Neutral
Formula: C8H11O2P
SMILES:   [PH](OCC)(=O)c1ccccc1
InChI:   InChI=1/C8H11O2P/c1-2-10-11(9)8-6-4-3-5-7-8/h3-7,11H,2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.6963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.148 g/mol  logS: -2.11922  SlogP: 0.7529  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114138  Sterimol/B1: 2.06336  Sterimol/B2: 3.60709  Sterimol/B3: 3.63939
  Sterimol/B4: 4.91422  Sterimol/L: 12.4903 
 
 Surface and Volume Properties
  Accessible surface: 378.246  Positive charged surface: 208.461  Negative charged surface: 169.785  Volume: 164.375
  Hydrophobic surface: 315.103  Hydrophilic surface: 63.143
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.