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ACROSORGANICS-ZINC04262521

 MMsINC code: MMs00017598
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-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.70438 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: 0.251441  Sterimol/B1: 2.28446  Sterimol/B2: 4.33067  Sterimol/B3: 5.18778
  Sterimol/B4: 5.64831  Sterimol/L: 11.4877 
 
 Surface and Volume Properties
  Accessible surface: 427.56  Positive charged surface: 313.658  Negative charged surface: 113.901  Volume: 200.5
  Hydrophobic surface: 318.243  Hydrophilic surface: 109.317
 
 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.