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


NCID-ZINC04726313

 MMsINC code: MMs02398307
Type: Neutral
Formula: C16H14O3
SMILES:   o1c2cc(ccc2c2c1cccc2)CCCC(O)=O
InChI:   InChI=1/C16H14O3/c17-16(18)7-3-4-11-8-9-13-12-5-1-2-6-14(12)19-15(13)10-11/h1-2,5-6,8-10H,3-4,7H2,(H,17,18)

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)=36.5427 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.285 g/mol  logS: -5.1049  SlogP: 3.99327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0474845  Sterimol/B1: 3.21391  Sterimol/B2: 3.5838  Sterimol/B3: 3.97494
  Sterimol/B4: 4.70814  Sterimol/L: 16.7415 
 
 Surface and Volume Properties
  Accessible surface: 496.714  Positive charged surface: 283.503  Negative charged surface: 202.355  Volume: 246.125
  Hydrophobic surface: 385.163  Hydrophilic surface: 111.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02398308
NCID-ZINC04726313