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


FDA-ZINC03201907

 MMsINC code: MMs01725838
Type: Neutral
Formula: C18H25NO
SMILES:   O(C)c1cc2C34C(C(N(CC3)C)Cc2cc1)CCCC4
InChI:   InChI=1/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/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)=93.0881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.404 g/mol  logS: -3.62438  SlogP: 3.38337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.29272  Sterimol/B1: 2.04814  Sterimol/B2: 4.07226  Sterimol/B3: 4.10636
  Sterimol/B4: 8.35238  Sterimol/L: 12.7142 
 
 Surface and Volume Properties
  Accessible surface: 475.448  Positive charged surface: 396.036  Negative charged surface: 79.4113  Volume: 281.625
  Hydrophobic surface: 462.249  Hydrophilic surface: 13.199
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs01725839
FDA-ZINC03201907