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


IBS-ZINC06624384

 MMsINC code: MMs01958443
Type: Neutral
Formula: C24H27N3O
SMILES:   O=C1N(c2c(cccc2)C12NCCc1c2[nH]c2c1cc(cc2)C)CCC(C)C
InChI:   InChI=1/C24H27N3O/c1-15(2)11-13-27-21-7-5-4-6-19(21)24(23(27)28)22-17(10-12-25-24)18-14-16(3)8-9-20(18)26-22/h4-9,14-15,25-26H,10-13H2,1-3H3/t24-/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)=96.1007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.5 g/mol  logS: -5.79825  SlogP: 4.56979  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132366  Sterimol/B1: 3.02318  Sterimol/B2: 3.56287  Sterimol/B3: 5.72727
  Sterimol/B4: 6.64384  Sterimol/L: 18.06 
 
 Surface and Volume Properties
  Accessible surface: 654.585  Positive charged surface: 433.805  Negative charged surface: 214.872  Volume: 382.125
  Hydrophobic surface: 562.032  Hydrophilic surface: 92.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01958444
IBS-ZINC06624384