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CHEMDIV-ZINC06808121

 MMsINC code: MMs01035598
Type: Neutral
Formula: C19H14N2O5
SMILES:   O=C1N(C(C(O)=O)C1N1C(=O)c2c(cccc2)C1=O)c1ccccc1C
InChI:   InChI=1/C19H14N2O5/c1-10-6-2-5-9-13(10)20-15(19(25)26)14(18(20)24)21-16(22)11-7-3-4-8-12(11)17(21)23/h2-9,14-15H,1H3,(H,25,26)/t14-,15+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.5191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.33 g/mol  logS: -4.13032  SlogP: 1.45962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0508835  Sterimol/B1: 2.40965  Sterimol/B2: 3.06138  Sterimol/B3: 4.76403
  Sterimol/B4: 7.7482  Sterimol/L: 16.166 
 
 Surface and Volume Properties
  Accessible surface: 554.384  Positive charged surface: 274.205  Negative charged surface: 259.691  Volume: 311.875
  Hydrophobic surface: 382.806  Hydrophilic surface: 171.578
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  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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Ions/Tautomers related molecules


MMs01035599
CHEMDIV-ZINC06808121