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


CHEMDIV-ZINC06803511

 MMsINC code: MMs01030665
Type: Neutral
Formula: C24H28N2O2
SMILES:   OC(=O)c1n(c2c(cccc2)c1CNC1CCCCC1C)Cc1ccccc1
InChI:   InChI=1/C24H28N2O2/c1-17-9-5-7-13-21(17)25-15-20-19-12-6-8-14-22(19)26(23(20)24(27)28)16-18-10-3-2-4-11-18/h2-4,6,8,10-12,14,17,21,25H,5,7,9,13,15-16H2,1H3,(H,27,28)/t17-,21+/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)=68.9741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.5 g/mol  logS: -4.87242  SlogP: 5.5889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0707292  Sterimol/B1: 2.02235  Sterimol/B2: 5.23871  Sterimol/B3: 5.63569
  Sterimol/B4: 6.03184  Sterimol/L: 17.2585 
 
 Surface and Volume Properties
  Accessible surface: 637.083  Positive charged surface: 414.43  Negative charged surface: 216.406  Volume: 387.25
  Hydrophobic surface: 536.577  Hydrophilic surface: 100.506
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.