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CHEMDIV-ZINC04928679

 MMsINC code: MMs00969073
Type: Ionized
Formula: C24H15FN3O3-
SMILES:   Fc1ccccc1C1N(C(=O)c2[nH]nc(c12)-c1ccccc1)c1ccc(cc1)C(=O)[O-]
InChI:   InChI=1/C24H16FN3O3/c25-18-9-5-4-8-17(18)22-19-20(14-6-2-1-3-7-14)26-27-21(19)23(29)28(22)16-12-10-15(11-13-16)24(30)31/h1-13,22H,(H,26,27)(H,30,31)/p-1/t22-/m0/s1

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Potential Energy
Epot(MMFF94)=92.9906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 412.4 g/mol  logS: -6.64815  SlogP: 3.4246  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14203  Sterimol/B1: 3.11421  Sterimol/B2: 4.49603  Sterimol/B3: 6.54254
  Sterimol/B4: 6.59516  Sterimol/L: 17.545 
 
 Surface and Volume Properties
  Accessible surface: 625.49  Positive charged surface: 304.349  Negative charged surface: 321.142  Volume: 370.625
  Hydrophobic surface: 434.742  Hydrophilic surface: 190.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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:


MMs00969072
CHEMDIV-ZINC04928679