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ASINEX-ZINC02110892

 MMsINC code: MMs00263894
Type: Neutral
Formula: C13H16N2O4
SMILES:   OC(=O)CCC(=O)NNC(=O)CCc1ccccc1
InChI:   InChI=1/C13H16N2O4/c16-11(7-6-10-4-2-1-3-5-10)14-15-12(17)8-9-13(18)19/h1-5H,6-9H2,(H,14,16)(H,15,17)(H,18,19)

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Potential Energy
Epot(MMFF94)=33.73 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.281 g/mol  logS: -1.51857  SlogP: 0.63137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0363469  Sterimol/B1: 2.47639  Sterimol/B2: 3.61612  Sterimol/B3: 3.63621
  Sterimol/B4: 4.35739  Sterimol/L: 19.3068 
 
 Surface and Volume Properties
  Accessible surface: 524.867  Positive charged surface: 321.715  Negative charged surface: 203.152  Volume: 246.125
  Hydrophobic surface: 319.255  Hydrophilic surface: 205.612
 
 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


MMs00263895
ASINEX-ZINC02110892