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ASINEX-ZINC04967701

 MMsINC code: MMs00416565
Type: Neutral
Formula: C18H24FN5O
SMILES:   Fc1ccccc1C1(O)CCN(CC1)Cc1nnnn1C1CCCC1
InChI:   InChI=1/C18H24FN5O/c19-16-8-4-3-7-15(16)18(25)9-11-23(12-10-18)13-17-20-21-22-24(17)14-5-1-2-6-14/h3-4,7-8,14,25H,1-2,5-6,9-13H2

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Potential Energy
Epot(MMFF94)=57.0828 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.422 g/mol  logS: -2.30138  SlogP: 3.0843  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0833129  Sterimol/B1: 3.94561  Sterimol/B2: 4.31792  Sterimol/B3: 4.33463
  Sterimol/B4: 5.28958  Sterimol/L: 16.949 
 
 Surface and Volume Properties
  Accessible surface: 581.183  Positive charged surface: 371.954  Negative charged surface: 175.171  Volume: 327.375
  Hydrophobic surface: 519.809  Hydrophilic surface: 61.374
 
 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


MMs00416566
ASINEX-ZINC04967701