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ASINEX-ZINC04910260

 MMsINC code: MMs00403423
Type: Neutral
Formula: C18H26N6O2
SMILES:   O(CCn1nnnc1CN1CCC(NC(=O)Cc2ccccc2)CC1)C
InChI:   InChI=1/C18H26N6O2/c1-26-12-11-24-17(20-21-22-24)14-23-9-7-16(8-10-23)19-18(25)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3,(H,19,25)

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Potential Energy
Epot(MMFF94)=50.7325 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.446 g/mol  logS: -1.6297  SlogP: 1.17557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0412232  Sterimol/B1: 2.62753  Sterimol/B2: 3.22743  Sterimol/B3: 4.22767
  Sterimol/B4: 6.98422  Sterimol/L: 20.8907 
 
 Surface and Volume Properties
  Accessible surface: 665.466  Positive charged surface: 468.578  Negative charged surface: 161.918  Volume: 352.875
  Hydrophobic surface: 573.547  Hydrophilic surface: 91.919
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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


MMs00403424
ASINEX-ZINC04910260