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PUBCHEM-ZINC05893727

 MMsINC code: MMs03432865
Type: Neutral
Formula: C19H17N5O5
SMILES:   O(C)c1ccc(N2C(O)=C(\C=N\NC(=O)Nc3ccccc3)C(=O)NC2=O)cc1
InChI:   InChI=1/C19H17N5O5/c1-29-14-9-7-13(8-10-14)24-17(26)15(16(25)22-19(24)28)11-20-23-18(27)21-12-5-3-2-4-6-12/h2-11,26H,1H3,(H2,21,23,27)(H,22,25,28)/b20-11+

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Potential Energy
Epot(MMFF94)=89.8288 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.375 g/mol  logS: -4.23107  SlogP: 2.3285  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0191219  Sterimol/B1: 2.52071  Sterimol/B2: 3.02889  Sterimol/B3: 3.78791
  Sterimol/B4: 5.68712  Sterimol/L: 22.3274 
 
 Surface and Volume Properties
  Accessible surface: 661.188  Positive charged surface: 416.443  Negative charged surface: 244.745  Volume: 348.125
  Hydrophobic surface: 424.647  Hydrophilic surface: 236.541
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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: no related molecules available.