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NCID-ZINC01642182

MMsINC code: MMs02284087

Type: Neutral
Formula: C12H11O4P
SMILES:   P(O)(O)(=O)c1ccccc1Oc1ccccc1
InChI:   InChI=1/C12H11O4P/c13-17(14,15)12-9-5-4-8-11(12)16-10-6-2-1-3-7-10/h1-9H,(H2,13,14,15)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=4.37788 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.19 g/mol  logS: -2.52759  SlogP: 1.2117  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10826  Sterimol/B1: 3.28871  Sterimol/B2: 3.72773  Sterimol/B3: 4.29956
  Sterimol/B4: 5.17469  Sterimol/L: 12.7675 
 
 Surface and Volume Properties
  Accessible surface: 441.738  Positive charged surface: 226.627  Negative charged surface: 215.11  Volume: 221
  Hydrophobic surface: 314.629  Hydrophilic surface: 127.109
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.