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


CHEMBRIDGE-ZINC03681389

 MMsINC code: MMs00754153
Type: Neutral
Formula: C14H11NO3
SMILES:   OC(=O)c1ccccc1-c1ccccc1C(=O)N
InChI:   InChI=1/C14H11NO3/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8H,(H2,15,16)(H,17,18)

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)=80.4228 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.246 g/mol  logS: -4.03278  SlogP: 2.1507  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.233596  Sterimol/B1: 2.35061  Sterimol/B2: 3.108  Sterimol/B3: 4.30639
  Sterimol/B4: 6.49065  Sterimol/L: 12.0941 
 
 Surface and Volume Properties
  Accessible surface: 424.607  Positive charged surface: 249.714  Negative charged surface: 173.508  Volume: 221.375
  Hydrophobic surface: 277.461  Hydrophilic surface: 147.146
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00754154
CHEMBRIDGE-ZINC03681389