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


ENAMINE-ZINC06509968

 MMsINC code: MMs01666402
Type: Neutral
Formula: C19H24N2O2
SMILES:   O(C)c1ccc(cc1)C(N(C)C)CNC(=O)c1cc(ccc1)C
InChI:   InChI=1/C19H24N2O2/c1-14-6-5-7-16(12-14)19(22)20-13-18(21(2)3)15-8-10-17(23-4)11-9-15/h5-12,18H,13H2,1-4H3,(H,20,22)/t18-/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)=106.27 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.413 g/mol  logS: -3.7211  SlogP: 3.13182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0531107  Sterimol/B1: 2.57316  Sterimol/B2: 3.77428  Sterimol/B3: 4.14807
  Sterimol/B4: 6.81358  Sterimol/L: 18.8291 
 
 Surface and Volume Properties
  Accessible surface: 595.113  Positive charged surface: 426.246  Negative charged surface: 168.866  Volume: 323.5
  Hydrophobic surface: 548.315  Hydrophilic surface: 46.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs01666403
ENAMINE-ZINC06509968