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IBS-ZINC03096038

 MMsINC code: MMs01870468
Type: Neutral
Formula: C7H16NO3P
SMILES:   P(O)(O)(=O)CN1CCCCCC1
InChI:   InChI=1/C7H16NO3P/c9-12(10,11)7-8-5-3-1-2-4-6-8/h1-7H2,(H2,9,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.75291 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.183 g/mol  logS: 0.51967  SlogP: -0.0726  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197079  Sterimol/B1: 2.57049  Sterimol/B2: 3.33455  Sterimol/B3: 4.18076
  Sterimol/B4: 4.72209  Sterimol/L: 11.2012 
 
 Surface and Volume Properties
  Accessible surface: 374.053  Positive charged surface: 270.863  Negative charged surface: 103.19  Volume: 175.625
  Hydrophobic surface: 244.594  Hydrophilic surface: 129.459
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.