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


NCID-ZINC01731013

 MMsINC code: MMs02353867
Type: Neutral
Formula: C23H35N3O
SMILES:   O=C(NCC(CCN(C)C)(C)c1c2c(ccc1)cccc2)CN(CC)CC
InChI:   InChI=1/C23H35N3O/c1-6-26(7-2)17-22(27)24-18-23(3,15-16-25(4)5)21-14-10-12-19-11-8-9-13-20(19)21/h8-14H,6-7,15-18H2,1-5H3,(H,24,27)/t23-/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)=145.096 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.553 g/mol  logS: -4.19866  SlogP: 3.5072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113435  Sterimol/B1: 4.16129  Sterimol/B2: 4.19958  Sterimol/B3: 4.75402
  Sterimol/B4: 6.52235  Sterimol/L: 17.5116 
 
 Surface and Volume Properties
  Accessible surface: 682.451  Positive charged surface: 502.139  Negative charged surface: 174.623  Volume: 400
  Hydrophobic surface: 592.671  Hydrophilic surface: 89.78
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs02353868
NCID-ZINC01731013