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ASINEX-ZINC04893130

 MMsINC code: MMs00396694
Type: Neutral
Formula: C11H15N3O4
SMILES:   o1cccc1C(=O)NNC(=O)C(=O)NCC(C)C
InChI:   InChI=1/C11H15N3O4/c1-7(2)6-12-10(16)11(17)14-13-9(15)8-4-3-5-18-8/h3-5,7H,6H2,1-2H3,(H,12,16)(H,13,15)(H,14,17)

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Potential Energy
Epot(MMFF94)=55.0647 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.258 g/mol  logS: -2.47039  SlogP: -0.1872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0154375  Sterimol/B1: 2.44297  Sterimol/B2: 2.52572  Sterimol/B3: 3.56199
  Sterimol/B4: 5.09805  Sterimol/L: 18.0639 
 
 Surface and Volume Properties
  Accessible surface: 501.614  Positive charged surface: 290.907  Negative charged surface: 210.706  Volume: 233.125
  Hydrophobic surface: 294.744  Hydrophilic surface: 206.87
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.