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


CHEMDIV-ZINC06894432

 MMsINC code: MMs01056041
Type: Neutral
Formula: C19H26N2O2
SMILES:   OC(=O)c1[nH]c2c(ccc(c2)C)c1CNC1CCCC(C)C1C
InChI:   InChI=1/C19H26N2O2/c1-11-7-8-14-15(18(19(22)23)21-17(14)9-11)10-20-16-6-4-5-12(2)13(16)3/h7-9,12-13,16,20-21H,4-6,10H2,1-3H3,(H,22,23)/t12-,13-,16-/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)=43.4085 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.429 g/mol  logS: -4.19965  SlogP: 4.35522  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0587517  Sterimol/B1: 2.99471  Sterimol/B2: 3.0814  Sterimol/B3: 3.57918
  Sterimol/B4: 8.37251  Sterimol/L: 15.8434 
 
 Surface and Volume Properties
  Accessible surface: 569.592  Positive charged surface: 382.581  Negative charged surface: 183.086  Volume: 322.125
  Hydrophobic surface: 413.892  Hydrophilic surface: 155.7
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.