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PUBCHEM-ZINC03163797

 MMsINC code: MMs03003879
Type: Neutral
Formula: C11H26NO3P
SMILES:   P(OCC)(OCC)(=O)CN(C(C)C)C(C)C
InChI:   InChI=1/C11H26NO3P/c1-7-14-16(13,15-8-2)9-12(10(3)4)11(5)6/h10-11H,7-9H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.2697 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.307 g/mol  logS: -1.17803  SlogP: 2.2586  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150188  Sterimol/B1: 2.01723  Sterimol/B2: 3.62789  Sterimol/B3: 3.98184
  Sterimol/B4: 8.07718  Sterimol/L: 12.4273 
 
 Surface and Volume Properties
  Accessible surface: 503.404  Positive charged surface: 358.311  Negative charged surface: 145.093  Volume: 259.75
  Hydrophobic surface: 356.87  Hydrophilic surface: 146.534
 
 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.