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ACROSORGANICS-ZINC01665841

 MMsINC code: MMs00010398
Type: Neutral
Formula: C12H11O3P
SMILES:   [PH](Oc1ccccc1)(Oc1ccccc1)=O
InChI:   InChI=1/C12H11O3P/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10,16H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.4259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.191 g/mol  logS: -3.62687  SlogP: 2.4639  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0407269  Sterimol/B1: 2.09947  Sterimol/B2: 3.68106  Sterimol/B3: 3.7564
  Sterimol/B4: 3.78034  Sterimol/L: 14.621 
 
 Surface and Volume Properties
  Accessible surface: 449.121  Positive charged surface: 217.571  Negative charged surface: 231.55  Volume: 212.625
  Hydrophobic surface: 397.934  Hydrophilic surface: 51.187
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.