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


PUBCHEM-ZINC05751531

 MMsINC code: MMs03370884
Type: Neutral
Formula: C23H27NO2
SMILES:   O(C(=O)C1c2c(-c3c1cccc3)cccc2)C(CC1N(CCCC1)C)C
InChI:   InChI=1/C23H27NO2/c1-16(15-17-9-7-8-14-24(17)2)26-23(25)22-20-12-5-3-10-18(20)19-11-4-6-13-21(19)22/h3-6,10-13,16-17,22H,7-9,14-15H2,1-2H3/t16-,17-/m1/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)=99.6384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.474 g/mol  logS: -5.43244  SlogP: 4.605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0628237  Sterimol/B1: 2.1479  Sterimol/B2: 2.95058  Sterimol/B3: 3.77621
  Sterimol/B4: 9.89431  Sterimol/L: 16.0514 
 
 Surface and Volume Properties
  Accessible surface: 589.97  Positive charged surface: 397.6  Negative charged surface: 181.862  Volume: 360.375
  Hydrophobic surface: 546.671  Hydrophilic surface: 43.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03370885
PUBCHEM-ZINC05751531