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


IFLAB-ZINC05256182

 MMsINC code: MMs02085861
Type: Neutral
Formula: C23H25N3O2
SMILES:   O(C)c1ccc(cc1)C1N(CCn2c1ccc2)C(=O)NCCc1ccccc1
InChI:   InChI=1/C23H25N3O2/c1-28-20-11-9-19(10-12-20)22-21-8-5-15-25(21)16-17-26(22)23(27)24-14-13-18-6-3-2-4-7-18/h2-12,15,22H,13-14,16-17H2,1H3,(H,24,27)/t22-/m0/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)=66.9726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.472 g/mol  logS: -3.55288  SlogP: 4.21587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0950151  Sterimol/B1: 2.35612  Sterimol/B2: 4.29513  Sterimol/B3: 4.30028
  Sterimol/B4: 11.2379  Sterimol/L: 16.3196 
 
 Surface and Volume Properties
  Accessible surface: 669.114  Positive charged surface: 436.014  Negative charged surface: 233.099  Volume: 377.25
  Hydrophobic surface: 601.757  Hydrophilic surface: 67.357
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.