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ASINEX-ZINC04892860

 MMsINC code: MMs00396557
Type: Neutral
Formula: C24H15FN2O4
SMILES:   Fc1ccccc1N1C(=O)C2C(C3c4c(cccc4)C2([N+](=O)[O-])c2c3cccc2)C1
=O
InChI:   InChI=1/C24H15FN2O4/c25-17-11-5-6-12-18(17)26-22(28)20-19-13-7-1-3-9-15(13)24(27(30)31,21(20)23(26)29)16-10-4-2-8-14(16)19/h1-12,19-21H/t19-,20-,21+,24-/m0/s1

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Potential Energy
Epot(MMFF94)=147.035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.392 g/mol  logS: -6.30241  SlogP: 3.9222  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.204219  Sterimol/B1: 3.23044  Sterimol/B2: 3.72318  Sterimol/B3: 6.04672
  Sterimol/B4: 6.20727  Sterimol/L: 15.8507 
 
 Surface and Volume Properties
  Accessible surface: 566.425  Positive charged surface: 283.607  Negative charged surface: 282.818  Volume: 353.75
  Hydrophobic surface: 464.918  Hydrophilic surface: 101.507
 
 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.