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


NCID-ZINC05765597

 MMsINC code: MMs02496529
Type: Neutral
Formula: C18H24N2O
SMILES:   O(C)c1cc2c([nH]cc2C2C3N(CCC2)CCCC3)cc1
InChI:   InChI=1/C18H24N2O/c1-21-13-7-8-17-15(11-13)16(12-19-17)14-5-4-10-20-9-3-2-6-18(14)20/h7-8,11-12,14,18-19H,2-6,9-10H2,1H3/t14-,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)=46.0032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.403 g/mol  logS: -2.83917  SlogP: 3.9084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172774  Sterimol/B1: 2.40671  Sterimol/B2: 3.80169  Sterimol/B3: 5.65855
  Sterimol/B4: 6.21427  Sterimol/L: 14.2064 
 
 Surface and Volume Properties
  Accessible surface: 526.654  Positive charged surface: 409.475  Negative charged surface: 114.129  Volume: 295.75
  Hydrophobic surface: 472.459  Hydrophilic surface: 54.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02496530
NCID-ZINC05765597