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


CHEMDIV-ZINC03031986

MMsINC code: MMs00905719

Type: Neutral
Formula: C19H23NOS
SMILES:   S(Cc1ccccc1C)CCC(=O)NCc1ccc(cc1)C
InChI:   InChI=1/C19H23NOS/c1-15-7-9-17(10-8-15)13-20-19(21)11-12-22-14-18-6-4-3-5-16(18)2/h3-10H,11-14H2,1-2H3,(H,20,21)

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)=51.6989 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.465 g/mol  logS: -5.12055  SlogP: 4.77594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0418605  Sterimol/B1: 2.18351  Sterimol/B2: 4.16742  Sterimol/B3: 4.35186
  Sterimol/B4: 5.54388  Sterimol/L: 20.957 
 
 Surface and Volume Properties
  Accessible surface: 636.986  Positive charged surface: 396.037  Negative charged surface: 240.949  Volume: 328.5
  Hydrophobic surface: 553.832  Hydrophilic surface: 83.154
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: no related molecules available.