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PUBCHEM-ZINC05821340

 MMsINC code: MMs03400398
Type: Neutral
Formula: C6H16NO3P
SMILES:   P(OC)(OC)(=O)NCCCC
InChI:   InChI=1/C6H16NO3P/c1-4-5-6-7-11(8,9-2)10-3/h4-6H2,1-3H3,(H,7,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-31.417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.172 g/mol  logS: -0.35287  SlogP: 0.7068  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0872918  Sterimol/B1: 2.93887  Sterimol/B2: 3.00666  Sterimol/B3: 3.80057
  Sterimol/B4: 5.21529  Sterimol/L: 12.2033 
 
 Surface and Volume Properties
  Accessible surface: 397.275  Positive charged surface: 312.751  Negative charged surface: 84.5243  Volume: 176.625
  Hydrophobic surface: 307.135  Hydrophilic surface: 90.14
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.