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ASINEX-ZINC00350104

 MMsINC code: MMs00122385
Type: Neutral
Formula: C14H12N4O2
SMILES:   o1cccc1-c1nc(n(n1)C(=O)c1ccc(cc1)C)N
InChI:   InChI=1/C14H12N4O2/c1-9-4-6-10(7-5-9)13(19)18-14(15)16-12(17-18)11-3-2-8-20-11/h2-8H,1H3,(H2,15,16,17)

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Potential Energy
Epot(MMFF94)=86.5867 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.276 g/mol  logS: -5.08225  SlogP: 2.11722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00449216  Sterimol/B1: 2.09997  Sterimol/B2: 2.50059  Sterimol/B3: 3.42189
  Sterimol/B4: 7.72565  Sterimol/L: 14.8788 
 
 Surface and Volume Properties
  Accessible surface: 497.021  Positive charged surface: 277.441  Negative charged surface: 219.581  Volume: 245.75
  Hydrophobic surface: 354.485  Hydrophilic surface: 142.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.