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


ACROSORGANICS-ZINC04261931

 MMsINC code: MMs00017027
Type: Neutral
Formula: C32H27N3
SMILES:   N(c1ccc(cc1)C(c1cc(C)c(N)cc1)=C1C=CC(=Nc2ccccc2)C=C1)c1ccccc
1
InChI:   InChI=1/C32H27N3/c1-23-22-26(16-21-31(23)33)32(24-12-17-29(18-13-24)34-27-8-4-2-5-9-27)25-14-19-30(20-15-25)35-28-10-6-3-7-11-28/h2-22,34H,33H2,1H3/b32-25-,35-30-

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)=168.623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 453.589 g/mol  logS: -8.87692  SlogP: 7.83871  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0628791  Sterimol/B1: 2.10888  Sterimol/B2: 3.16628  Sterimol/B3: 5.84737
  Sterimol/B4: 9.88421  Sterimol/L: 21.453 
 
 Surface and Volume Properties
  Accessible surface: 790.266  Positive charged surface: 463.644  Negative charged surface: 323.669  Volume: 467.5
  Hydrophobic surface: 703.317  Hydrophilic surface: 86.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.