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ASINEX-ZINC04910274

 MMsINC code: MMs00403430
Type: Neutral
Formula: C19H25FN6O
SMILES:   Fc1cc(ccc1)C(=O)NC1CCN(CC1)Cc1nnnn1C1CCCC1
InChI:   InChI=1/C19H25FN6O/c20-15-5-3-4-14(12-15)19(27)21-16-8-10-25(11-9-16)13-18-22-23-24-26(18)17-6-1-2-7-17/h3-5,12,16-17H,1-2,6-11,13H2,(H,21,27)

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Potential Energy
Epot(MMFF94)=54.3733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.448 g/mol  logS: -2.67649  SlogP: 2.6836  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600402  Sterimol/B1: 3.0493  Sterimol/B2: 3.15389  Sterimol/B3: 4.69794
  Sterimol/B4: 7.39038  Sterimol/L: 18.0705 
 
 Surface and Volume Properties
  Accessible surface: 628.228  Positive charged surface: 382.663  Negative charged surface: 211.126  Volume: 353
  Hydrophobic surface: 550.076  Hydrophilic surface: 78.152
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs00403431
ASINEX-ZINC04910274