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


NCID-ZINC01720909

 MMsINC code: MMs02345809
Type: Neutral
Formula: C3H11N2O3P
SMILES:   P(O)(O)(=O)C(N)CCN
InChI:   InChI=1/C3H11N2O3P/c4-2-1-3(5)9(6,7)8/h3H,1-2,4-5H2,(H2,6,7,8)/t3-/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)=-11.6515 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.106 g/mol  logS: 1.61376  SlogP: -2.2725  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.147257  Sterimol/B1: 3.04113  Sterimol/B2: 3.12741  Sterimol/B3: 3.53312
  Sterimol/B4: 4.73455  Sterimol/L: 9.72252 
 
 Surface and Volume Properties
  Accessible surface: 314.591  Positive charged surface: 217.986  Negative charged surface: 96.6057  Volume: 127.875
  Hydrophobic surface: 74.3172  Hydrophilic surface: 240.2738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs02345810
NCID-ZINC01720909