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


CHEMBRIDGE-ZINC00615495

 MMsINC code: MMs00634394
Type: Neutral
Formula: C19H26N2O2
SMILES:   O=C1N(CC(C1)C(=O)NC1CCC(CC1)C)c1ccc(cc1)C
InChI:   InChI=1/C19H26N2O2/c1-13-3-7-16(8-4-13)20-19(23)15-11-18(22)21(12-15)17-9-5-14(2)6-10-17/h5-6,9-10,13,15-16H,3-4,7-8,11-12H2,1-2H3,(H,20,23)/t13-,15-,16+/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)=47.7449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.429 g/mol  logS: -3.90107  SlogP: 3.04282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0717086  Sterimol/B1: 3.03174  Sterimol/B2: 3.37469  Sterimol/B3: 4.84133
  Sterimol/B4: 5.36065  Sterimol/L: 18.284 
 
 Surface and Volume Properties
  Accessible surface: 583.321  Positive charged surface: 395.312  Negative charged surface: 188.009  Volume: 323.5
  Hydrophobic surface: 507.31  Hydrophilic surface: 76.011
 
 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.