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ASINEX-ZINC02274506

 MMsINC code: MMs00267191
Type: Neutral
Formula: C15H19N3O3
SMILES:   OC=1c2c(N(CCCCC)C(=O)C=1C(=O)NN)cccc2
InChI:   InChI=1/C15H19N3O3/c1-2-3-6-9-18-11-8-5-4-7-10(11)13(19)12(15(18)21)14(20)17-16/h4-5,7-8,19H,2-3,6,9,16H2,1H3,(H,17,20)

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Potential Energy
Epot(MMFF94)=78.958 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.335 g/mol  logS: -3.61078  SlogP: 1.4824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0539807  Sterimol/B1: 2.98603  Sterimol/B2: 3.39442  Sterimol/B3: 3.98651
  Sterimol/B4: 7.80406  Sterimol/L: 15.2531 
 
 Surface and Volume Properties
  Accessible surface: 530.951  Positive charged surface: 349.649  Negative charged surface: 181.303  Volume: 274.25
  Hydrophobic surface: 323.169  Hydrophilic surface: 207.782
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.