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NCID-ZINC01726405

 MMsINC code: MMs02350104
Type: Neutral
Formula: C6H16NO4P
SMILES:   P(OC)(OC)(=O)NCCCOC
InChI:   InChI=1/C6H16NO4P/c1-9-6-4-5-7-12(8,10-2)11-3/h4-6H2,1-3H3,(H,7,8)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-23.2636 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.171 g/mol  logS: 0.34692  SlogP: -0.0568  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.07388  Sterimol/B1: 2.52061  Sterimol/B2: 3.56231  Sterimol/B3: 4.05481
  Sterimol/B4: 5.16909  Sterimol/L: 13.2688 
 
 Surface and Volume Properties
  Accessible surface: 421.366  Positive charged surface: 353.543  Negative charged surface: 67.8233  Volume: 185.5
  Hydrophobic surface: 343.242  Hydrophilic surface: 78.124
 
 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.