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ASINEX-ZINC00289927

 MMsINC code: MMs00110187
Type: Neutral
Formula: C15H12N4O3
SMILES:   OC=1c2c(N(C)C(=O)C=1C(=O)Nc1ncccn1)cccc2
InChI:   InChI=1/C15H12N4O3/c1-19-10-6-3-2-5-9(10)12(20)11(14(19)22)13(21)18-15-16-7-4-8-17-15/h2-8,20H,1H3,(H,16,17,18,21)

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Potential Energy
Epot(MMFF94)=51.4744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.286 g/mol  logS: -3.2939  SlogP: 1.3608  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0445071  Sterimol/B1: 2.23109  Sterimol/B2: 3.52886  Sterimol/B3: 3.64877
  Sterimol/B4: 7.30679  Sterimol/L: 16.2753 
 
 Surface and Volume Properties
  Accessible surface: 505.917  Positive charged surface: 337.042  Negative charged surface: 168.874  Volume: 260.25
  Hydrophobic surface: 368.416  Hydrophilic surface: 137.501
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.