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CHEMDIV-ZINC06793839

 MMsINC code: MMs01024574
Type: Neutral
Formula: C26H25FN2O2
SMILES:   Fc1ccccc1Cn1c2c(cccc2)c(CNCc2ccc(cc2)CC)c1C(O)=O
InChI:   InChI=1/C26H25FN2O2/c1-2-18-11-13-19(14-12-18)15-28-16-22-21-8-4-6-10-24(21)29(25(22)26(30)31)17-20-7-3-5-9-23(20)27/h3-14,28H,2,15-17H2,1H3,(H,30,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.1383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.496 g/mol  logS: -6.25153  SlogP: 6.17827  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0544883  Sterimol/B1: 3.44241  Sterimol/B2: 4.4546  Sterimol/B3: 4.5946
  Sterimol/B4: 7.00057  Sterimol/L: 20.588 
 
 Surface and Volume Properties
  Accessible surface: 699.126  Positive charged surface: 424.318  Negative charged surface: 270.723  Volume: 408.875
  Hydrophobic surface: 579.283  Hydrophilic surface: 119.843
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.