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ENAMINE-ZINC03184210

 MMsINC code: MMs01298800
Type: Neutral
Formula: C24H12F5N3O2
SMILES:   Fc1c(-n2ncc(c2-c2ccc(O)cc2O)-c2nc3c(cc2)cccc3)c(F)c(F)c(F)c1
F
InChI:   InChI=1/C24H12F5N3O2/c25-18-19(26)21(28)24(22(29)20(18)27)32-23(13-7-6-12(33)9-17(13)34)14(10-30-32)16-8-5-11-3-1-2-4-15(11)31-16/h1-10,33-34H

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 469.369 g/mol  logS: -7.66869  SlogP: 5.8612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0827761  Sterimol/B1: 3.76526  Sterimol/B2: 3.98198  Sterimol/B3: 5.8842
  Sterimol/B4: 6.10035  Sterimol/L: 17.1743 
 
 Surface and Volume Properties
  Accessible surface: 630.848  Positive charged surface: 300.426  Negative charged surface: 324.226  Volume: 375.25
  Hydrophobic surface: 522.197  Hydrophilic surface: 108.651
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.