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


CHEMDIV-ZINC00260894

MMsINC code: MMs00847402

Type: Neutral
Formula: C18H24N2O2S
SMILES:   S1CC(=O)N(c2cc(ccc12)C(=O)NC1CCCCC1C)CC
InChI:   InChI=1/C18H24N2O2S/c1-3-20-15-10-13(8-9-16(15)23-11-17(20)21)18(22)19-14-7-5-4-6-12(14)2/h8-10,12,14H,3-7,11H2,1-2H3,(H,19,22)/t12-,14-/m1/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)=68.1887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.468 g/mol  logS: -4.79747  SlogP: 3.4537  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0633022  Sterimol/B1: 2.57097  Sterimol/B2: 2.9208  Sterimol/B3: 4.58152
  Sterimol/B4: 7.33629  Sterimol/L: 16.5935 
 
 Surface and Volume Properties
  Accessible surface: 574.504  Positive charged surface: 380.344  Negative charged surface: 194.16  Volume: 322.5
  Hydrophobic surface: 430.674  Hydrophilic surface: 143.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.