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MAYBRIDGE-ZINC04325006

 MMsINC code: MMs02167107
Type: Neutral
Formula: C19H28N4O
SMILES:   O=C(Nc1ccc(cc1)CCCC)Nc1n(nc(c1)C(C)(C)C)C
InChI:   InChI=1/C19H28N4O/c1-6-7-8-14-9-11-15(12-10-14)20-18(24)21-17-13-16(19(2,3)4)22-23(17)5/h9-13H,6-8H2,1-5H3,(H2,20,21,24)

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Potential Energy
Epot(MMFF94)=69.37 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.46 g/mol  logS: -4.83164  SlogP: 5.06337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0369135  Sterimol/B1: 2.42197  Sterimol/B2: 4.2681  Sterimol/B3: 4.7769
  Sterimol/B4: 6.27326  Sterimol/L: 19.6807 
 
 Surface and Volume Properties
  Accessible surface: 665.324  Positive charged surface: 473.416  Negative charged surface: 191.908  Volume: 346.375
  Hydrophobic surface: 524.793  Hydrophilic surface: 140.531
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.