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PUBCHEM-ZINC03127758

 MMsINC code: MMs02997893
Type: Neutral
Formula: C13H27O2P
SMILES:   P(OCCCC)(=O)(CCCC)C1CCCC1
InChI:   InChI=1/C13H27O2P/c1-3-5-11-15-16(14,12-6-4-2)13-9-7-8-10-13/h13H,3-12H2,1-2H3/t16-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.5797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.331 g/mol  logS: -2.40114  SlogP: 3.7537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0732104  Sterimol/B1: 2.39148  Sterimol/B2: 2.75989  Sterimol/B3: 3.78397
  Sterimol/B4: 9.76939  Sterimol/L: 14.3255 
 
 Surface and Volume Properties
  Accessible surface: 536.014  Positive charged surface: 412.484  Negative charged surface: 123.53  Volume: 268
  Hydrophobic surface: 466.523  Hydrophilic surface: 69.491
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.