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


FDA-ZINC03830989

 MMsINC code: MMs01726900
Type: Neutral
Formula: C19H25NO
SMILES:   Oc1cc2C34C(C(N(CC3)CC=C)Cc2cc1)CCCC4
InChI:   InChI=1/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/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)=84.3453 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.415 g/mol  logS: -3.70828  SlogP: 3.63657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.282637  Sterimol/B1: 3.4695  Sterimol/B2: 4.81741  Sterimol/B3: 5.16234
  Sterimol/B4: 5.32864  Sterimol/L: 12.9362 
 
 Surface and Volume Properties
  Accessible surface: 500.168  Positive charged surface: 362.296  Negative charged surface: 137.872  Volume: 292.75
  Hydrophobic surface: 397.437  Hydrophilic surface: 102.731
 
 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


MMs01726901
FDA-ZINC03830989