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ALFAAESAR-ZINC01996013

 MMsINC code: MMs00022309
Type: Neutral
Formula: C6H7O2P
SMILES:   P(O)(O)c1ccccc1
InChI:   InChI=1/C6H7O2P/c7-9(8)6-4-2-1-3-5-6/h1-5,7-8H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.9003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.094 g/mol  logS: -0.89436  SlogP: 0.6084  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0574328  Sterimol/B1: 2.74439  Sterimol/B2: 2.83227  Sterimol/B3: 3.53806
  Sterimol/B4: 4.02081  Sterimol/L: 9.85658 
 
 Surface and Volume Properties
  Accessible surface: 313.203  Positive charged surface: 188.17  Negative charged surface: 125.032  Volume: 128.625
  Hydrophobic surface: 217.569  Hydrophilic surface: 95.634
 
 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.