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


ACROSORGANICS-ZINC01707644

 MMsINC code: MMs00011490
Type: Neutral
Formula: C4H12NO3P
SMILES:   P(O)(O)(=O)C(N)C(C)C
InChI:   InChI=1/C4H12NO3P/c1-3(2)4(5)9(6,7)8/h3-4H,5H2,1-2H3,(H2,6,7,8)/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)=0.0815026 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.118 g/mol  logS: 0.77614  SlogP: -0.9653  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.184195  Sterimol/B1: 2.76898  Sterimol/B2: 3.68839  Sterimol/B3: 3.7191
  Sterimol/B4: 3.98392  Sterimol/L: 9.74396 
 
 Surface and Volume Properties
  Accessible surface: 315.131  Positive charged surface: 199.109  Negative charged surface: 116.022  Volume: 134.125
  Hydrophobic surface: 107.959  Hydrophilic surface: 207.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: no related molecules available.