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


CHEMDIV-ZINC02913125

 MMsINC code: MMs00889783
Type: Neutral
Formula: C23H34N2O2
SMILES:   O=C1N(Cc2ccc(cc2)CC)C(CC1)(C(=O)NC1CCCCCCC1)C
InChI:   InChI=1/C23H34N2O2/c1-3-18-11-13-19(14-12-18)17-25-21(26)15-16-23(25,2)22(27)24-20-9-7-5-4-6-8-10-20/h11-14,20H,3-10,15-17H2,1-2H3,(H,24,27)/t23-/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)=124.228 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.537 g/mol  logS: -5.64805  SlogP: 4.62557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0842968  Sterimol/B1: 2.85793  Sterimol/B2: 4.13298  Sterimol/B3: 4.54642
  Sterimol/B4: 6.97539  Sterimol/L: 19.0021 
 
 Surface and Volume Properties
  Accessible surface: 649.227  Positive charged surface: 442.387  Negative charged surface: 206.84  Volume: 390.375
  Hydrophobic surface: 561.193  Hydrophilic surface: 88.034
 
 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: no related molecules available.