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ASINEX-ZINC00842015

MMsINC code: MMs00188283

Type: Neutral
Formula: C24H16FNO2
SMILES:   Fc1ccc(N2C(=O)C3C(C4c5c(C3c3c4cccc3)cccc5)C2=O)cc1
InChI:   InChI=1/C24H16FNO2/c25-13-9-11-14(12-10-13)26-23(27)21-19-15-5-1-2-6-16(15)20(22(21)24(26)28)18-8-4-3-7-17(18)19/h1-12,19-22H/t19-,20+,21-,22+

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=105.391 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.395 g/mol  logS: -5.47773  SlogP: 4.2223  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159322  Sterimol/B1: 3.38033  Sterimol/B2: 3.79848  Sterimol/B3: 5.08827
  Sterimol/B4: 6.1988  Sterimol/L: 16.1072 
 
 Surface and Volume Properties
  Accessible surface: 564.45  Positive charged surface: 300.395  Negative charged surface: 264.055  Volume: 338.25
  Hydrophobic surface: 506.028  Hydrophilic surface: 58.422
 
 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.