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


NCID-ZINC01642757

 MMsINC code: MMs02284450
Type: Neutral
Formula: C19H26N2O4
SMILES:   O(C(=O)C1N(CCC1)C(=O)C(NC(=O)C)C(C)C)Cc1ccccc1
InChI:   InChI=1/C19H26N2O4/c1-13(2)17(20-14(3)22)18(23)21-11-7-10-16(21)19(24)25-12-15-8-5-4-6-9-15/h4-6,8-9,13,16-17H,7,10-12H2,1-3H3,(H,20,22)/t16-,17+/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)=83.8491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.427 g/mol  logS: -3.29625  SlogP: 2.1479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.07789  Sterimol/B1: 2.2356  Sterimol/B2: 5.0635  Sterimol/B3: 5.65404
  Sterimol/B4: 5.70474  Sterimol/L: 17.7268 
 
 Surface and Volume Properties
  Accessible surface: 634.203  Positive charged surface: 413.515  Negative charged surface: 220.689  Volume: 345.125
  Hydrophobic surface: 517.217  Hydrophilic surface: 116.986
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.