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


NCID-ZINC01624563

 MMsINC code: MMs02271560
Type: Neutral
Formula: C19H22N2OS
SMILES:   S1c2c(cccc2C)C(NC(=O)CCN(C)C)c2c1cccc2
InChI:   InChI=1/C19H22N2OS/c1-13-7-6-9-15-18(20-17(22)11-12-21(2)3)14-8-4-5-10-16(14)23-19(13)15/h4-10,18H,11-12H2,1-3H3,(H,20,22)/t18-/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)=57.7568 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.464 g/mol  logS: -3.84324  SlogP: 3.71242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0922209  Sterimol/B1: 2.34377  Sterimol/B2: 3.71551  Sterimol/B3: 5.29926
  Sterimol/B4: 8.15458  Sterimol/L: 16.0189 
 
 Surface and Volume Properties
  Accessible surface: 588.914  Positive charged surface: 404.161  Negative charged surface: 184.753  Volume: 325.25
  Hydrophobic surface: 533.556  Hydrophilic surface: 55.358
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02271561
NCID-ZINC01624563