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VITASM-ZINC04746579

 MMsINC code: MMs03964387
Type: Ionized
Formula: C19H13FN3O5-
SMILES:   Fc1ccccc1NC(=O)CN1C(=O)/C(/NC1=O)=C/c1ccc(cc1)C(=O)[O-]
InChI:   InChI=1/C19H14FN3O5/c20-13-3-1-2-4-14(13)21-16(24)10-23-17(25)15(22-19(23)28)9-11-5-7-12(8-6-11)18(26)27/h1-9H,10H2,(H,21,24)(H,22,28)(H,26,27)/p-1/b15-9+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.8993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.327 g/mol  logS: -4.89502  SlogP: 0.7206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0563387  Sterimol/B1: 2.52893  Sterimol/B2: 4.54652  Sterimol/B3: 5.4369
  Sterimol/B4: 7.66924  Sterimol/L: 17.9957 
 
 Surface and Volume Properties
  Accessible surface: 621.278  Positive charged surface: 305.261  Negative charged surface: 316.017  Volume: 330.125
  Hydrophobic surface: 387.403  Hydrophilic surface: 233.875
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 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:


MMs03964386
VITASM-ZINC04746579