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


ENAMINE-ZINC03310298

 MMsINC code: MMs01363460
Type: Neutral
Formula: C19H27NO4
SMILES:   O(C)c1ccc(cc1)CC(OCC(=O)NC1CCCC(C)C1C)=O
InChI:   InChI=1/C19H27NO4/c1-13-5-4-6-17(14(13)2)20-18(21)12-24-19(22)11-15-7-9-16(23-3)10-8-15/h7-10,13-14,17H,4-6,11-12H2,1-3H3,(H,20,21)/t13-,14-,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)=80.9709 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.428 g/mol  logS: -4.23916  SlogP: 2.72177  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0416164  Sterimol/B1: 2.28694  Sterimol/B2: 3.55664  Sterimol/B3: 4.17863
  Sterimol/B4: 5.67416  Sterimol/L: 21.1505 
 
 Surface and Volume Properties
  Accessible surface: 631.67  Positive charged surface: 459.55  Negative charged surface: 172.12  Volume: 334.25
  Hydrophobic surface: 510.117  Hydrophilic surface: 121.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.