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ENAMINE-ZINC03175837

 MMsINC code: MMs01295754
Type: Neutral
Formula: C7H15O4P
SMILES:   P(OCC(C)C)(=O)(C(OC)=O)C
InChI:   InChI=1/C7H15O4P/c1-6(2)5-11-12(4,9)7(8)10-3/h6H,5H2,1-4H3/t12-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.167 g/mol  logS: -0.5517  SlogP: 1.2631  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.098969  Sterimol/B1: 2.10062  Sterimol/B2: 2.30246  Sterimol/B3: 4.84092
  Sterimol/B4: 5.20573  Sterimol/L: 13.5487 
 
 Surface and Volume Properties
  Accessible surface: 423.417  Positive charged surface: 294.588  Negative charged surface: 128.829  Volume: 183.25
  Hydrophobic surface: 283.459  Hydrophilic surface: 139.958
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.