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


FDA-ZINC03831235

 MMsINC code: MMs01727169
Type: Neutral
Formula: C19H25NO2
SMILES:   Oc1ccc(cc1)C(O)C(NC(CCc1ccccc1)C)C
InChI:   InChI=1/C19H25NO2/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17/h3-7,10-15,19-22H,8-9H2,1-2H3/t14-,15-,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)=76.4273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.414 g/mol  logS: -3.24645  SlogP: 3.52047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0642064  Sterimol/B1: 2.15514  Sterimol/B2: 3.44783  Sterimol/B3: 3.80343
  Sterimol/B4: 6.86042  Sterimol/L: 18.6418 
 
 Surface and Volume Properties
  Accessible surface: 575.75  Positive charged surface: 352.089  Negative charged surface: 223.661  Volume: 316.625
  Hydrophobic surface: 451.007  Hydrophilic surface: 124.743
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs01727170
FDA-ZINC03831235