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NCID-ZINC04962620

 MMsINC code: MMs02419318
Type: Neutral
Formula: C10H19O4P
SMILES:   P(OC=1CCCCC=1)(OCC)(OCC)=O
InChI:   InChI=1/C10H19O4P/c1-3-12-15(11,13-4-2)14-10-8-6-5-7-9-10/h8H,3-7,9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.42632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.232 g/mol  logS: -1.59962  SlogP: 2.5718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0890655  Sterimol/B1: 2.349  Sterimol/B2: 2.38471  Sterimol/B3: 3.97284
  Sterimol/B4: 7.40893  Sterimol/L: 13.6647 
 
 Surface and Volume Properties
  Accessible surface: 463.516  Positive charged surface: 329.329  Negative charged surface: 134.187  Volume: 225.25
  Hydrophobic surface: 360.744  Hydrophilic surface: 102.772
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.