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


FDA-ZINC02018342

 MMsINC code: MMs01725763
Type: Neutral
Formula: C19H23NO3
SMILES:   O(C)c1cc(ccc1)C(=O)CCNC(C(O)c1ccccc1)C
InChI:   InChI=1/C19H23NO3/c1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-9-6-10-17(13-16)23-2/h3-10,13-14,19-20,22H,11-12H2,1-2H3/t14-,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)=90.8885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.397 g/mol  logS: -3.2816  SlogP: 3.0752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0383267  Sterimol/B1: 2.16743  Sterimol/B2: 3.34317  Sterimol/B3: 4.45146
  Sterimol/B4: 5.21705  Sterimol/L: 20.3875 
 
 Surface and Volume Properties
  Accessible surface: 595.747  Positive charged surface: 383.426  Negative charged surface: 212.321  Volume: 319.375
  Hydrophobic surface: 490.146  Hydrophilic surface: 105.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs01725764
FDA-ZINC02018342