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


NCID-ZINC01624687

 MMsINC code: MMs02271653
Type: Neutral
Formula: C16H19NO3
SMILES:   O(C)c1cc2C34C(N(CC3)Cc2cc1O)CC(O)C=C4
InChI:   InChI=1/C16H19NO3/c1-20-14-8-12-10(6-13(14)19)9-17-5-4-16(12)3-2-11(18)7-15(16)17/h2-3,6,8,11,15,18-19H,4-5,7,9H2,1H3/t11-,15+,16-/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)=99.9367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.332 g/mol  logS: -1.88225  SlogP: 1.8137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.35285  Sterimol/B1: 3.08262  Sterimol/B2: 3.57414  Sterimol/B3: 4.47302
  Sterimol/B4: 6.66971  Sterimol/L: 11.3374 
 
 Surface and Volume Properties
  Accessible surface: 469.572  Positive charged surface: 377.013  Negative charged surface: 92.5588  Volume: 260.25
  Hydrophobic surface: 337.931  Hydrophilic surface: 131.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02271654
NCID-ZINC01624687