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PUBCHEM-ZINC02953284

 MMsINC code: MMs02965959
Type: Neutral
Formula: C24H20FN3O3
SMILES:   Fc1ccc(\N=C/2\Oc3c(C=C\2C(=O)Nc2cc(ccc2)C)c(cnc3C)CO)cc1
InChI:   InChI=1/C24H20FN3O3/c1-14-4-3-5-19(10-14)27-23(30)21-11-20-16(13-29)12-26-15(2)22(20)31-24(21)28-18-8-6-17(25)7-9-18/h3-12,29H,13H2,1-2H3,(H,27,30)/b28-24+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=151.196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.44 g/mol  logS: -6.29082  SlogP: 4.74094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0839245  Sterimol/B1: 2.6316  Sterimol/B2: 4.33138  Sterimol/B3: 5.63648
  Sterimol/B4: 7.58896  Sterimol/L: 16.2889 
 
 Surface and Volume Properties
  Accessible surface: 626.52  Positive charged surface: 401.488  Negative charged surface: 225.032  Volume: 382
  Hydrophobic surface: 511.108  Hydrophilic surface: 115.412
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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
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Ions/Tautomers related molecules: no related molecules available.