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ACROSORGANICS-ZINC01693573

 MMsINC code: MMs00011208
Type: Neutral
Formula: C12H11O4P
SMILES:   P(Oc1ccccc1)(Oc1ccccc1)(O)=O
InChI:   InChI=1/C12H11O4P/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H,13,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.099 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.19 g/mol  logS: -2.92492  SlogP: 2.1746  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0389395  Sterimol/B1: 2.09894  Sterimol/B2: 3.6048  Sterimol/B3: 3.7796
  Sterimol/B4: 3.88422  Sterimol/L: 14.5266 
 
 Surface and Volume Properties
  Accessible surface: 452.357  Positive charged surface: 225.812  Negative charged surface: 226.544  Volume: 220
  Hydrophobic surface: 374.143  Hydrophilic surface: 78.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.