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


NCID-ZINC05540075

 MMsINC code: MMs02471474
Type: Neutral
Formula: C11H17N2O8P
SMILES:   P(OCC)(O)(=O)C1C(O)C(OC1CO)N1C=CC(=O)NC1=O
InChI:   InChI=1/C11H17N2O8P/c1-2-20-22(18,19)9-6(5-14)21-10(8(9)16)13-4-3-7(15)12-11(13)17/h3-4,6,8-10,14,16H,2,5H2,1H3,(H,18,19)(H,12,15,17)/t6-,8+,9-,10-/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)=-7.22005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.237 g/mol  logS: -0.07706  SlogP: -2.3497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0574579  Sterimol/B1: 2.95882  Sterimol/B2: 3.85161  Sterimol/B3: 4.28281
  Sterimol/B4: 5.48149  Sterimol/L: 16.7483 
 
 Surface and Volume Properties
  Accessible surface: 525.592  Positive charged surface: 320.156  Negative charged surface: 205.436  Volume: 268.5
  Hydrophobic surface: 233.135  Hydrophilic surface: 292.457
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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.