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


ASINEX-ZINC00367948

 MMsINC code: MMs00125116
Type: Neutral
Formula: C15H19NO7
SMILES:   O1C(CO)C(O)C(O)C(NC(=O)C)C1Oc1ccccc1C=O
InChI:   InChI=1/C15H19NO7/c1-8(19)16-12-14(21)13(20)11(7-18)23-15(12)22-10-5-3-2-4-9(10)6-17/h2-6,11-15,18,20-21H,7H2,1H3,(H,16,19)/t11-,12-,13-,14+,15+/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)=97.8969 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.317 g/mol  logS: -1.18589  SlogP: -1.1784  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.294451  Sterimol/B1: 2.36354  Sterimol/B2: 3.41018  Sterimol/B3: 5.50472
  Sterimol/B4: 7.97641  Sterimol/L: 12.6517 
 
 Surface and Volume Properties
  Accessible surface: 529.306  Positive charged surface: 358.204  Negative charged surface: 171.103  Volume: 287.5
  Hydrophobic surface: 315.864  Hydrophilic surface: 213.442
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  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.