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NCID-ZINC04896326

 MMsINC code: MMs02413408
Type: Neutral
Formula: C12H11O4P
SMILES:   P(Oc1ccccc1O)(O)(=O)c1ccccc1
InChI:   InChI=1/C12H11O4P/c13-11-8-4-5-9-12(11)16-17(14,15)10-6-2-1-3-7-10/h1-9,13H,(H,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.3968 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.19 g/mol  logS: -2.43019  SlogP: 1.2117  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0709694  Sterimol/B1: 2.9463  Sterimol/B2: 3.77089  Sterimol/B3: 3.90186
  Sterimol/B4: 4.27154  Sterimol/L: 14.4707 
 
 Surface and Volume Properties
  Accessible surface: 446.246  Positive charged surface: 225.963  Negative charged surface: 220.283  Volume: 219
  Hydrophobic surface: 340.453  Hydrophilic surface: 105.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.