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


NCID-ZINC01651657

 MMsINC code: MMs02290985
Type: Neutral
Formula: C23H25N3O
SMILES:   O1CCc2c(-c3c1cccc3)c1c(nc2N2CCN(CC2)CC)cccc1
InChI:   InChI=1/C23H25N3O/c1-2-25-12-14-26(15-13-25)23-19-11-16-27-21-10-6-4-8-18(21)22(19)17-7-3-5-9-20(17)24-23/h3-10H,2,11-16H2,1H3

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)=162.587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.473 g/mol  logS: -5.24666  SlogP: 3.97857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0725813  Sterimol/B1: 2.61478  Sterimol/B2: 4.60775  Sterimol/B3: 5.07652
  Sterimol/B4: 6.98114  Sterimol/L: 16.8903 
 
 Surface and Volume Properties
  Accessible surface: 619.194  Positive charged surface: 436.705  Negative charged surface: 174.093  Volume: 363.25
  Hydrophobic surface: 564.477  Hydrophilic surface: 54.717
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02290986
NCID-ZINC01651657