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IBS-ZINC00491401

 MMsINC code: MMs01738518
Type: Neutral
Formula: C11H20N4O2
SMILES:   O=C1N(C2N(C)C(=O)N(C2N1C)C)C(C)(C)C
InChI:   InChI=1/C11H20N4O2/c1-11(2,3)15-8-7(13(5)10(15)17)12(4)9(16)14(8)6/h7-8H,1-6H3/t7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=46.9559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.307 g/mol  logS: -0.23493  SlogP: 0.8017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166101  Sterimol/B1: 2.50855  Sterimol/B2: 4.56745  Sterimol/B3: 4.57184
  Sterimol/B4: 5.28354  Sterimol/L: 11.101 
 
 Surface and Volume Properties
  Accessible surface: 423.069  Positive charged surface: 329.821  Negative charged surface: 93.2484  Volume: 232.875
  Hydrophobic surface: 307.825  Hydrophilic surface: 115.244
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.