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


NCID-ZINC01678590

 MMsINC code: MMs02313321
Type: Neutral
Formula: C19H29NO
SMILES:   OC1(CC2N(CC1CC(C)C)CCc1c2cccc1)CC
InChI:   InChI=1/C19H29NO/c1-4-19(21)12-18-17-8-6-5-7-15(17)9-10-20(18)13-16(19)11-14(2)3/h5-8,14,16,18,21H,4,9-13H2,1-3H3/t16-,18+,19-/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)=80.097 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 287.447 g/mol  logS: -4.06645  SlogP: 3.88837  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.196004  Sterimol/B1: 2.18405  Sterimol/B2: 3.62698  Sterimol/B3: 4.44111
  Sterimol/B4: 8.41699  Sterimol/L: 13.7483 
 
 Surface and Volume Properties
  Accessible surface: 527.984  Positive charged surface: 370.36  Negative charged surface: 157.624  Volume: 312.5
  Hydrophobic surface: 440.84  Hydrophilic surface: 87.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02313322
NCID-ZINC01678590