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PUBCHEM-ZINC02029661

 MMsINC code: MMs02858687
Type: Neutral
Formula: C13H29O3P
SMILES:   P(OC(C(C)(C)C)C)(OC(C(C)(C)C)C)(=O)C
InChI:   InChI=1/C13H29O3P/c1-10(12(3,4)5)15-17(9,14)16-11(2)13(6,7)8/h10-11H,1-9H3/t10-,11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.4749 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.346 g/mol  logS: -2.13084  SlogP: 3.6415  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155993  Sterimol/B1: 3.01553  Sterimol/B2: 3.91526  Sterimol/B3: 4.63613
  Sterimol/B4: 5.40718  Sterimol/L: 13.2942 
 
 Surface and Volume Properties
  Accessible surface: 499.417  Positive charged surface: 329.02  Negative charged surface: 170.398  Volume: 283.5
  Hydrophobic surface: 328.465  Hydrophilic surface: 170.952
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.