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NCID-ZINC01765359

 MMsINC code: MMs02369461
Type: Neutral
Formula: C7H9O3P
SMILES:   P(OC)(O)(=O)c1ccccc1
InChI:   InChI=1/C7H9O3P/c1-10-11(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)=1.97822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 172.12 g/mol  logS: -1.09006  SlogP: 0.0735  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.061918  Sterimol/B1: 3.1977  Sterimol/B2: 3.28641  Sterimol/B3: 3.3971
  Sterimol/B4: 4.30106  Sterimol/L: 11.2539 
 
 Surface and Volume Properties
  Accessible surface: 355.558  Positive charged surface: 212.794  Negative charged surface: 142.765  Volume: 153.625
  Hydrophobic surface: 275.704  Hydrophilic surface: 79.854
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.