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VITASM-ZINC04746579

 MMsINC code: MMs03964386
Type: Neutral
Formula: C19H14FN3O5
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)/b15-9+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=82.426 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.335 g/mol  logS: -4.63457  SlogP: 2.0553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0733746  Sterimol/B1: 2.54176  Sterimol/B2: 5.36865  Sterimol/B3: 5.58661
  Sterimol/B4: 6.66583  Sterimol/L: 16.6554 
 
 Surface and Volume Properties
  Accessible surface: 609.08  Positive charged surface: 338.692  Negative charged surface: 270.388  Volume: 328
  Hydrophobic surface: 379.742  Hydrophilic surface: 229.338
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  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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Ions/Tautomers related molecules


MMs03964387
VITASM-ZINC04746579