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IBS-ZINC00077265

 MMsINC code: MMs01729473
Type: Neutral
Formula: C12H22N4O2
SMILES:   O=C1NC2N(C(C)(C)C)C(=O)NC2N1C(C)(C)C
InChI:   InChI=1/C12H22N4O2/c1-11(2,3)15-7-8(14-9(15)17)16(10(18)13-7)12(4,5)6/h7-8H,1-6H3,(H,13,18)(H,14,17)/t7-,8+

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Potential Energy
Epot(MMFF94)=62.9836 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.334 g/mol  logS: -1.42854  SlogP: 1.286  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124584  Sterimol/B1: 2.37963  Sterimol/B2: 3.6138  Sterimol/B3: 4.85268
  Sterimol/B4: 5.22046  Sterimol/L: 12.9914 
 
 Surface and Volume Properties
  Accessible surface: 453.037  Positive charged surface: 301.752  Negative charged surface: 151.286  Volume: 250.5
  Hydrophobic surface: 254.12  Hydrophilic surface: 198.917
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.