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


PUBCHEM-ZINC01163741

 MMsINC code: MMs02781413
Type: Neutral
Formula: C17H24N2O3
SMILES:   O(Cc1ccccc1)C(=O)NCC(=O)NC1CCCCC1C
InChI:   InChI=1/C17H24N2O3/c1-13-7-5-6-10-15(13)19-16(20)11-18-17(21)22-12-14-8-3-2-4-9-14/h2-4,8-9,13,15H,5-7,10-12H2,1H3,(H,18,21)(H,19,20)/t13-,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)=29.3503 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.39 g/mol  logS: -3.45331  SlogP: 2.8741  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0462479  Sterimol/B1: 2.00932  Sterimol/B2: 3.09084  Sterimol/B3: 4.21764
  Sterimol/B4: 6.84137  Sterimol/L: 18.5127 
 
 Surface and Volume Properties
  Accessible surface: 599.634  Positive charged surface: 405.326  Negative charged surface: 194.308  Volume: 306.25
  Hydrophobic surface: 473.672  Hydrophilic surface: 125.962
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.