logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC01720914

 MMsINC code: MMs02345815
Type: Neutral
Formula: C5H12NO5P
SMILES:   P(O)(O)(=O)C(N)CCCC(O)=O
InChI:   InChI=1/C5H12NO5P/c6-4(12(9,10)11)2-1-3-5(7)8/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m0/s1

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=-10.3813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.127 g/mol  logS: 1.22559  SlogP: -1.3664  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0973946  Sterimol/B1: 2.70093  Sterimol/B2: 3.58153  Sterimol/B3: 3.9641
  Sterimol/B4: 4.40835  Sterimol/L: 11.7243 
 
 Surface and Volume Properties
  Accessible surface: 372.369  Positive charged surface: 240.282  Negative charged surface: 132.086  Volume: 159.625
  Hydrophobic surface: 97.0929  Hydrophilic surface: 275.2761
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02345816
NCID-ZINC01720914