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ASINEX-ZINC00825748

 MMsINC code: MMs00182861
Type: Neutral
Formula: C25H18FNO2
SMILES:   Fc1ccc(cc1)CN1C(=O)C2C(C3c4c(C2c2c3cccc2)cccc4)C1=O
InChI:   InChI=1/C25H18FNO2/c26-15-11-9-14(10-12-15)13-27-24(28)22-20-16-5-1-2-6-17(16)21(23(22)25(27)29)19-8-4-3-7-18(19)20/h1-12,20-23H,13H2/t20-,21+,22-,23-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.422 g/mol  logS: -5.42177  SlogP: 4.4843  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177434  Sterimol/B1: 2.48823  Sterimol/B2: 3.22308  Sterimol/B3: 4.92993
  Sterimol/B4: 8.5646  Sterimol/L: 14.9938 
 
 Surface and Volume Properties
  Accessible surface: 609.911  Positive charged surface: 324.23  Negative charged surface: 285.681  Volume: 355.125
  Hydrophobic surface: 538.996  Hydrophilic surface: 70.915
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.