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IBS-ZINC06755957

 MMsINC code: MMs01967978
Type: Neutral
Formula: C14H22N4O
SMILES:   OCCNc1ncnc2n(CC(C)C)c(C)c(c12)C
InChI:   InChI=1/C14H22N4O/c1-9(2)7-18-11(4)10(3)12-13(15-5-6-19)16-8-17-14(12)18/h8-9,19H,5-7H2,1-4H3,(H,15,16,17)

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Potential Energy
Epot(MMFF94)=42.7444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.357 g/mol  logS: -2.8185  SlogP: 2.37474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0523815  Sterimol/B1: 2.68067  Sterimol/B2: 3.18913  Sterimol/B3: 3.27354
  Sterimol/B4: 7.68455  Sterimol/L: 14.9908 
 
 Surface and Volume Properties
  Accessible surface: 514.836  Positive charged surface: 395.67  Negative charged surface: 114.175  Volume: 271.125
  Hydrophobic surface: 364.888  Hydrophilic surface: 149.948
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.