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


PUBCHEM-ZINC03746183

 MMsINC code: MMs03068279
Type: Neutral
Formula: C24H23NO2
SMILES:   OC(=O)Cc1c2cc(ccc2[nH]c1-c1c2c(ccc1)cccc2)C(C)(C)C
InChI:   InChI=1/C24H23NO2/c1-24(2,3)16-11-12-21-19(13-16)20(14-22(26)27)23(25-21)18-10-6-8-15-7-4-5-9-17(15)18/h4-13,25H,14H2,1-3H3,(H,26,27)

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)=96.231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.453 g/mol  logS: -7.99829  SlogP: 5.91267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145605  Sterimol/B1: 3.85799  Sterimol/B2: 4.13159  Sterimol/B3: 5.14146
  Sterimol/B4: 6.00004  Sterimol/L: 16.4989 
 
 Surface and Volume Properties
  Accessible surface: 626.763  Positive charged surface: 366.463  Negative charged surface: 248.751  Volume: 361.25
  Hydrophobic surface: 469.168  Hydrophilic surface: 157.595
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03068280
PUBCHEM-ZINC03746183