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


PUBCHEM-ZINC06404001

 MMsINC code: MMs03708589
Type: Neutral
Formula: C14H24N3O7P
SMILES:   P(OCC)(OCC)(=O)NC1CC(OC1CO)N1C=C(C)C(=O)NC1=O
InChI:   InChI=1/C14H24N3O7P/c1-4-22-25(21,23-5-2)16-10-6-12(24-11(10)8-18)17-7-9(3)13(19)15-14(17)20/h7,10-12,18H,4-6,8H2,1-3H3,(H,16,21)(H,15,19,20)/t10-,11+,12+/m0/s1

Download   format file 
Drug Similarity  |  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)=-12.0019 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.334 g/mol  logS: -0.868  SlogP: -0.3816  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111856  Sterimol/B1: 3.00102  Sterimol/B2: 4.74927  Sterimol/B3: 5.17229
  Sterimol/B4: 7.59372  Sterimol/L: 16.2459 
 
 Surface and Volume Properties
  Accessible surface: 616.209  Positive charged surface: 405.32  Negative charged surface: 210.889  Volume: 330
  Hydrophobic surface: 345.565  Hydrophilic surface: 270.644
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.