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ACROSORGANICS-ZINC04262520

 MMsINC code: MMs00017597
Type: Neutral
Formula: C8H19O3P
SMILES:   P(OCC)(OCC)(=O)C(CC)C
InChI:   InChI=1/C8H19O3P/c1-5-8(4)12(9,10-6-2)11-7-3/h8H,5-7H2,1-4H3/t8-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.2587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.211 g/mol  logS: -1.12199  SlogP: 1.9808  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11601  Sterimol/B1: 2.70513  Sterimol/B2: 3.91772  Sterimol/B3: 4.78303
  Sterimol/B4: 5.60025  Sterimol/L: 11.31 
 
 Surface and Volume Properties
  Accessible surface: 420.259  Positive charged surface: 309.079  Negative charged surface: 111.181  Volume: 198.875
  Hydrophobic surface: 313.85  Hydrophilic surface: 106.409
 
 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.