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ASINEX-ZINC03022359

 MMsINC code: MMs00283737
Type: Neutral
Formula: C14H13O3P
SMILES:   P1(Oc2c(Cc3c(O1)cccc3)cccc2)(=O)C
InChI:   InChI=1/C14H13O3P/c1-18(15)16-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)17-18/h2-9H,10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.4798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.229 g/mol  logS: -3.17297  SlogP: 2.80127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0958421  Sterimol/B1: 2.2246  Sterimol/B2: 2.55776  Sterimol/B3: 3.47153
  Sterimol/B4: 6.96234  Sterimol/L: 12.7169 
 
 Surface and Volume Properties
  Accessible surface: 436.733  Positive charged surface: 244.774  Negative charged surface: 191.959  Volume: 235
  Hydrophobic surface: 368.921  Hydrophilic surface: 67.812
 
 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.