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


PUBCHEM-ZINC03696223

 MMsINC code: MMs03046281
Type: Neutral
Formula: C15H13F2NO
SMILES:   Fc1ccc(F)cc1C1NCCc2c1ccc(O)c2
InChI:   InChI=1/C15H13F2NO/c16-10-1-4-14(17)13(8-10)15-12-3-2-11(19)7-9(12)5-6-18-15/h1-4,7-8,15,18-19H,5-6H2/t15-/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)=68.5781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.271 g/mol  logS: -3.30516  SlogP: 3.00097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140217  Sterimol/B1: 2.54807  Sterimol/B2: 3.64956  Sterimol/B3: 3.65555
  Sterimol/B4: 7.52281  Sterimol/L: 12.1393 
 
 Surface and Volume Properties
  Accessible surface: 442.114  Positive charged surface: 253.513  Negative charged surface: 188.6  Volume: 234.75
  Hydrophobic surface: 376.021  Hydrophilic surface: 66.093
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs03046282
PUBCHEM-ZINC03696223