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PUBCHEM-ZINC03159862

 MMsINC code: MMs03003133
Type: Neutral
Formula: C13H30NO3P
SMILES:   P(OCCC)(OCCC)(=O)CN(C(C)C)C(C)C
InChI:   InChI=1/C13H30NO3P/c1-7-9-16-18(15,17-10-8-2)11-14(12(3)4)13(5)6/h12-13H,7-11H2,1-6H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.0621 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.361 g/mol  logS: -1.58157  SlogP: 3.0388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110469  Sterimol/B1: 2.48531  Sterimol/B2: 3.7834  Sterimol/B3: 3.90769
  Sterimol/B4: 8.85677  Sterimol/L: 13.4066 
 
 Surface and Volume Properties
  Accessible surface: 565.884  Positive charged surface: 407.964  Negative charged surface: 157.92  Volume: 294.375
  Hydrophobic surface: 419.587  Hydrophilic surface: 146.297
 
 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.