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PUBCHEM-ZINC02046712

 MMsINC code: MMs02865100
Type: Neutral
Formula: C7H18NO3P
SMILES:   P(OCC)(OCC)(=O)C(N)(C)C
InChI:   InChI=1/C7H18NO3P/c1-5-10-12(9,11-6-2)7(3,4)8/h5-6,8H2,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.2657 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.199 g/mol  logS: -0.66754  SlogP: 0.8771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.189712  Sterimol/B1: 2.33878  Sterimol/B2: 3.08403  Sterimol/B3: 4.19918
  Sterimol/B4: 8.10647  Sterimol/L: 10.335 
 
 Surface and Volume Properties
  Accessible surface: 418.393  Positive charged surface: 300.038  Negative charged surface: 118.355  Volume: 193.875
  Hydrophobic surface: 261.652  Hydrophilic surface: 156.741
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.