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


CHEMBLOCK-ZINC00720360

 MMsINC code: MMs00508928
Type: Neutral
Formula: C24H21NO2
SMILES:   Oc1cc(ccc1O)-c1c2CC(CCc2nc2c1c1c(cc2)cccc1)C
InChI:   InChI=1/C24H21NO2/c1-14-6-9-19-18(12-14)23(16-8-11-21(26)22(27)13-16)24-17-5-3-2-4-15(17)7-10-20(24)25-19/h2-5,7-8,10-11,13-14,26-27H,6,9,12H2,1H3/t14-/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)=145.977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.437 g/mol  logS: -7.15781  SlogP: 5.59094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0883909  Sterimol/B1: 3.63222  Sterimol/B2: 4.14345  Sterimol/B3: 5.43586
  Sterimol/B4: 7.60556  Sterimol/L: 14.8491 
 
 Surface and Volume Properties
  Accessible surface: 584.695  Positive charged surface: 375.69  Negative charged surface: 194.19  Volume: 348.125
  Hydrophobic surface: 451.804  Hydrophilic surface: 132.891
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.