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ENAMINE-ZINC03268641

 MMsINC code: MMs01341136
Type: Neutral
Formula: C10H11O2P
SMILES:   P1(=O)(CC(O)C=C1)c1ccccc1
InChI:   InChI=1/C10H11O2P/c11-9-6-7-13(12,8-9)10-4-2-1-3-5-10/h1-7,9,11H,8H2/t9-,13+/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.9206 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.17 g/mol  logS: -1.14499  SlogP: 0.493  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10951  Sterimol/B1: 3.24288  Sterimol/B2: 3.4504  Sterimol/B3: 3.63862
  Sterimol/B4: 4.08781  Sterimol/L: 12.297 
 
 Surface and Volume Properties
  Accessible surface: 385.217  Positive charged surface: 209.091  Negative charged surface: 176.126  Volume: 182
  Hydrophobic surface: 278.452  Hydrophilic surface: 106.765
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.