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ASINEX-ZINC00377981

 MMsINC code: MMs00126571
Type: Neutral
Formula: C15H15N3O3
SMILES:   OC=1C=2CCCCC=2NC(=O)C=1C(=O)Nc1ncccc1
InChI:   InChI=1/C15H15N3O3/c19-13-9-5-1-2-6-10(9)17-14(20)12(13)15(21)18-11-7-3-4-8-16-11/h3-4,7-8H,1-2,5-6H2,(H,16,18,21)(H2,17,19,20)

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Potential Energy
Epot(MMFF94)=50.4424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.303 g/mol  logS: -2.36162  SlogP: 1.7901  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0423473  Sterimol/B1: 2.36001  Sterimol/B2: 3.72763  Sterimol/B3: 4.19559
  Sterimol/B4: 4.20706  Sterimol/L: 16.2834 
 
 Surface and Volume Properties
  Accessible surface: 499.813  Positive charged surface: 325.379  Negative charged surface: 174.434  Volume: 256.25
  Hydrophobic surface: 345.353  Hydrophilic surface: 154.46
 
 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.