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ALFAAESAR-ZINC01595411

 MMsINC code: MMs00021437
Type: Neutral
Formula: C7H9O2P
SMILES:   P(O)(=O)(C)c1ccccc1
InChI:   InChI=1/C7H9O2P/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3,(H,8,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=20.4476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.121 g/mol  logS: -0.8355  SlogP: 0.1419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127628  Sterimol/B1: 2.15891  Sterimol/B2: 3.25796  Sterimol/B3: 4.05019
  Sterimol/B4: 4.28349  Sterimol/L: 10.4991 
 
 Surface and Volume Properties
  Accessible surface: 337.129  Positive charged surface: 166.829  Negative charged surface: 170.3  Volume: 145.875
  Hydrophobic surface: 238.347  Hydrophilic surface: 98.782
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.