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


ASINEX-ZINC00197401

 MMsINC code: MMs00090506
Type: Neutral
Formula: C14H18N2O3
SMILES:   O(CCC(C)C)c1ccc(cc1)C1NC(=O)NC1=O
InChI:   InChI=1/C14H18N2O3/c1-9(2)7-8-19-11-5-3-10(4-6-11)12-13(17)16-14(18)15-12/h3-6,9,12H,7-8H2,1-2H3,(H2,15,16,17,18)/t12-/m1/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)=28.2155 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.309 g/mol  logS: -3.51818  SlogP: 2.0875  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0490849  Sterimol/B1: 3.11064  Sterimol/B2: 4.29748  Sterimol/B3: 4.32937
  Sterimol/B4: 4.72794  Sterimol/L: 15.4027 
 
 Surface and Volume Properties
  Accessible surface: 509.577  Positive charged surface: 323.518  Negative charged surface: 186.059  Volume: 252.5
  Hydrophobic surface: 303.617  Hydrophilic surface: 205.96
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.