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NCID-ZINC01628009

 MMsINC code: MMs02273851
Type: Neutral
Formula: C5H12NO5P
SMILES:   P(OC(=O)N(CC)CC)(O)(O)=O
InChI:   InChI=1/C5H12NO5P/c1-3-6(4-2)5(7)11-12(8,9)10/h3-4H2,1-2H3,(H2,8,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-85.0255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.127 g/mol  logS: 0.16924  SlogP: -0.5127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14476  Sterimol/B1: 2.40892  Sterimol/B2: 2.92338  Sterimol/B3: 3.21212
  Sterimol/B4: 6.33148  Sterimol/L: 11.1282 
 
 Surface and Volume Properties
  Accessible surface: 377.845  Positive charged surface: 236.066  Negative charged surface: 141.778  Volume: 164
  Hydrophobic surface: 167.494  Hydrophilic surface: 210.351
 
 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.