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


NCID-ZINC01594267

 MMsINC code: MMs02248650
Type: Neutral
Formula: C19H20O
SMILES:   O=C(C1CCCCC1c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H20O/c20-19(16-11-5-2-6-12-16)18-14-8-7-13-17(18)15-9-3-1-4-10-15/h1-6,9-12,17-18H,7-8,13-14H2/t17-,18+/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)=64.7791 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.368 g/mol  logS: -5.04647  SlogP: 4.8433  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.224491  Sterimol/B1: 2.52692  Sterimol/B2: 3.45578  Sterimol/B3: 4.43109
  Sterimol/B4: 9.49913  Sterimol/L: 12.4379 
 
 Surface and Volume Properties
  Accessible surface: 503.166  Positive charged surface: 310.787  Negative charged surface: 192.379  Volume: 280.875
  Hydrophobic surface: 486.965  Hydrophilic surface: 16.201
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.