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


NCID-ZINC01646084

 MMsINC code: MMs02286730
Type: Neutral
Formula: C19H20O4
SMILES:   OC(=O)c1cc(ccc1CC(Cc1cc(ccc1)C)C(O)=O)C
InChI:   InChI=1/C19H20O4/c1-12-4-3-5-14(8-12)10-16(18(20)21)11-15-7-6-13(2)9-17(15)19(22)23/h3-9,16H,10-11H2,1-2H3,(H,20,21)(H,22,23)/t16-/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)=67.6255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.365 g/mol  logS: -3.91884  SlogP: 3.48758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167835  Sterimol/B1: 2.26952  Sterimol/B2: 3.11121  Sterimol/B3: 6.10864
  Sterimol/B4: 6.84761  Sterimol/L: 14.3399 
 
 Surface and Volume Properties
  Accessible surface: 539.897  Positive charged surface: 340.702  Negative charged surface: 199.195  Volume: 305.75
  Hydrophobic surface: 408.807  Hydrophilic surface: 131.09
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02286731
NCID-ZINC01646084