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ASINEX-ZINC00849907

 MMsINC code: MMs00191888
Type: Ionized
Formula: C25H15FNO4-
SMILES:   Fc1ccccc1N1C(=O)C2C(C3c4c(cccc4)C2(c2c3cccc2)C(=O)[O-])C1=O
InChI:   InChI=1/C25H16FNO4/c26-17-11-5-6-12-18(17)27-22(28)20-19-13-7-1-3-9-15(13)25(24(30)31,21(20)23(27)29)16-10-4-2-8-14(16)19/h1-12,19-21H,(H,30,31)/p-1/t19-,20-,21+,25-/m1/s1

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Potential Energy
Epot(MMFF94)=121.448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.396 g/mol  logS: -5.60858  SlogP: 2.1264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.212685  Sterimol/B1: 2.91354  Sterimol/B2: 4.5152  Sterimol/B3: 5.69322
  Sterimol/B4: 7.31518  Sterimol/L: 16.171 
 
 Surface and Volume Properties
  Accessible surface: 589.406  Positive charged surface: 290.618  Negative charged surface: 298.788  Volume: 361.875
  Hydrophobic surface: 487.32  Hydrophilic surface: 102.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00191887
ASINEX-ZINC00849907