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


NANOSIN-ZINC04256889

 MMsINC code: MMs02205018
Type: Neutral
Formula: C29H24N2O3
SMILES:   O=C1N(CCCN(C(=O)c2ccccc2)c2ccccc2C)C(=O)c2c3c1cccc3ccc2
InChI:   InChI=1/C29H24N2O3/c1-20-10-5-6-17-25(20)30(27(32)22-11-3-2-4-12-22)18-9-19-31-28(33)23-15-7-13-21-14-8-16-24(26(21)23)29(31)34/h2-8,10-17H,9,18-19H2,1H3

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)=131.747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 448.522 g/mol  logS: -7.83319  SlogP: 5.48132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121531  Sterimol/B1: 2.30618  Sterimol/B2: 3.21102  Sterimol/B3: 6.6718
  Sterimol/B4: 7.51076  Sterimol/L: 17.5845 
 
 Surface and Volume Properties
  Accessible surface: 712.786  Positive charged surface: 398.148  Negative charged surface: 304.384  Volume: 433.25
  Hydrophobic surface: 627.423  Hydrophilic surface: 85.363
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.