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ASINEX-ZINC01810847

 MMsINC code: MMs00258256
Type: Neutral
Formula: C12H23N3O2
SMILES:   O=C(NC1CC(NC(C1)(C)C)(C)C)C(=O)NC
InChI:   InChI=1/C12H23N3O2/c1-11(2)6-8(7-12(3,4)15-11)14-10(17)9(16)13-5/h8,15H,6-7H2,1-5H3,(H,13,16)(H,14,17)

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Potential Energy
Epot(MMFF94)=37.5634 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.335 g/mol  logS: -1.56384  SlogP: 0.1578  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118194  Sterimol/B1: 2.49747  Sterimol/B2: 2.91051  Sterimol/B3: 4.25856
  Sterimol/B4: 6.98207  Sterimol/L: 14.2178 
 
 Surface and Volume Properties
  Accessible surface: 485.19  Positive charged surface: 362.516  Negative charged surface: 122.675  Volume: 248.875
  Hydrophobic surface: 303.024  Hydrophilic surface: 182.166
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00258257
ASINEX-ZINC01810847