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ASINEX-ZINC00143065

 MMsINC code: MMs00081937
Type: Neutral
Formula: C16H14N2O4
SMILES:   OC(=O)c1ccccc1C(=O)NNC(=O)c1ccccc1C
InChI:   InChI=1/C16H14N2O4/c1-10-6-2-3-7-11(10)14(19)17-18-15(20)12-8-4-5-9-13(12)16(21)22/h2-9H,1H3,(H,17,19)(H,18,20)(H,21,22)

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Potential Energy
Epot(MMFF94)=97.4848 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.298 g/mol  logS: -4.02672  SlogP: 1.76802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.036492  Sterimol/B1: 2.35889  Sterimol/B2: 2.55278  Sterimol/B3: 3.89961
  Sterimol/B4: 6.9803  Sterimol/L: 16.2159 
 
 Surface and Volume Properties
  Accessible surface: 528.151  Positive charged surface: 291.597  Negative charged surface: 236.553  Volume: 275.125
  Hydrophobic surface: 370.219  Hydrophilic surface: 157.932
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00081938
ASINEX-ZINC00143065