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


PUBCHEM-ZINC01581600

 MMsINC code: MMs02815219
Type: Neutral
Formula: C30H30N4O2
SMILES:   O=C(NC(C(NC(=O)c1cc(cc(c1)C)C)c1ccncc1)c1ccncc1)c1cc(cc(c1)C
)C
InChI:   InChI=1/C30H30N4O2/c1-19-13-20(2)16-25(15-19)29(35)33-27(23-5-9-31-10-6-23)28(24-7-11-32-12-8-24)34-30(36)26-17-21(3)14-22(4)18-26/h5-18,27-28H,1-4H3,(H,33,35)(H,34,36)/t27-,28-/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)=144.299 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 478.596 g/mol  logS: -6.38668  SlogP: 5.54368  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109858  Sterimol/B1: 3.32671  Sterimol/B2: 4.71996  Sterimol/B3: 5.14129
  Sterimol/B4: 8.11821  Sterimol/L: 20.011 
 
 Surface and Volume Properties
  Accessible surface: 779.59  Positive charged surface: 504.828  Negative charged surface: 274.763  Volume: 478.75
  Hydrophobic surface: 690.666  Hydrophilic surface: 88.924
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.