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PUBCHEM-ZINC03159221

 MMsINC code: MMs03002971
Type: Neutral
Formula: C14H30NO3P
SMILES:   P(OCC(C)C)(OCC(C)C)(=O)CN1CCCCC1
InChI:   InChI=1/C14H30NO3P/c1-13(2)10-17-19(16,18-11-14(3)4)12-15-8-6-5-7-9-15/h13-14H,5-12H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.2003 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.372 g/mol  logS: -1.43042  SlogP: 2.8979  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100593  Sterimol/B1: 2.47333  Sterimol/B2: 3.01088  Sterimol/B3: 4.21213
  Sterimol/B4: 8.69664  Sterimol/L: 15.0273 
 
 Surface and Volume Properties
  Accessible surface: 575.356  Positive charged surface: 442.473  Negative charged surface: 132.884  Volume: 305
  Hydrophobic surface: 466.063  Hydrophilic surface: 109.293
 
 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.