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


AURORAFEINCHEMIE-ZINC02126026

 MMsINC code: MMs00451005
Type: Neutral
Formula: C23H26N2O2
SMILES:   O(C)c1ccc(cc1)\C=C\C12NC(=O)CN1c1c(cc(cc1)CC)C2(C)C
InChI:   InChI=1/C23H26N2O2/c1-5-16-8-11-20-19(14-16)22(2,3)23(24-21(26)15-25(20)23)13-12-17-6-9-18(27-4)10-7-17/h6-14H,5,15H2,1-4H3,(H,24,26)/b13-12+/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)=175.674 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.473 g/mol  logS: -5.59031  SlogP: 3.89467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0981671  Sterimol/B1: 2.88444  Sterimol/B2: 3.79146  Sterimol/B3: 5.08089
  Sterimol/B4: 8.81612  Sterimol/L: 17.5823 
 
 Surface and Volume Properties
  Accessible surface: 635.573  Positive charged surface: 410.667  Negative charged surface: 224.906  Volume: 365
  Hydrophobic surface: 499.934  Hydrophilic surface: 135.639
 
 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.