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PUBCHEM-ZINC00327351

 MMsINC code: MMs02655482
Type: Neutral
Formula: C18H30N4O
SMILES:   O=C(N1CCN(CC1)c1nc(nc(C)c1C(C)C)C)C(C)(C)C
InChI:   InChI=1/C18H30N4O/c1-12(2)15-13(3)19-14(4)20-16(15)21-8-10-22(11-9-21)17(23)18(5,6)7/h12H,8-11H2,1-7H3

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Potential Energy
Epot(MMFF94)=155.863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.465 g/mol  logS: -2.85109  SlogP: 2.91154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119605  Sterimol/B1: 3.20646  Sterimol/B2: 4.4324  Sterimol/B3: 4.80328
  Sterimol/B4: 6.30632  Sterimol/L: 15.6255 
 
 Surface and Volume Properties
  Accessible surface: 578.33  Positive charged surface: 420.721  Negative charged surface: 157.609  Volume: 335.625
  Hydrophobic surface: 443.255  Hydrophilic surface: 135.075
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.