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CHEMDIV-ZINC06868625

 MMsINC code: MMs01049714
Type: Neutral
Formula: C21H26FN3O
SMILES:   Fc1cc(ccc1)-c1nc(c2n1CCCCC2)C(=O)NC1CCCCC1
InChI:   InChI=1/C21H26FN3O/c22-16-9-7-8-15(14-16)20-24-19(18-12-5-2-6-13-25(18)20)21(26)23-17-10-3-1-4-11-17/h7-9,14,17H,1-6,10-13H2,(H,23,26)

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Potential Energy
Epot(MMFF94)=68.7403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.457 g/mol  logS: -5.57604  SlogP: 4.74447  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0545228  Sterimol/B1: 2.58822  Sterimol/B2: 4.05025  Sterimol/B3: 4.28878
  Sterimol/B4: 8.64665  Sterimol/L: 16.4145 
 
 Surface and Volume Properties
  Accessible surface: 620.682  Positive charged surface: 436.387  Negative charged surface: 184.295  Volume: 349.375
  Hydrophobic surface: 578.961  Hydrophilic surface: 41.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.