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ASINEX-ZINC00234444

 MMsINC code: MMs00095432
Type: Neutral
Formula: C14H10N4O3
SMILES:   OC=1c2c(NC(=O)C=1C(=O)Nc1ncccn1)cccc2
InChI:   InChI=1/C14H10N4O3/c19-11-8-4-1-2-5-9(8)17-12(20)10(11)13(21)18-14-15-6-3-7-16-14/h1-7H,(H2,17,19,20)(H,15,16,18,21)

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Potential Energy
Epot(MMFF94)=35.69 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.259 g/mol  logS: -3.39989  SlogP: 1.3365  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.04401  Sterimol/B1: 2.58307  Sterimol/B2: 3.54992  Sterimol/B3: 3.59987
  Sterimol/B4: 6.13634  Sterimol/L: 16.2953 
 
 Surface and Volume Properties
  Accessible surface: 483.621  Positive charged surface: 300.162  Negative charged surface: 183.459  Volume: 246.125
  Hydrophobic surface: 312.566  Hydrophilic surface: 171.055
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.