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BACHEM-ZINC04899523

 MMsINC code: MMs00484985
Type: Neutral
Formula: C13H24N4O3
SMILES:   O=C(NC(CC(C)C)C(=O)NCC(=O)N)C1NCCC1
InChI:   InChI=1/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10+/m0/s1

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Potential Energy
Epot(MMFF94)=74.6201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.36 g/mol  logS: -2.09298  SlogP: -1.1292  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0738241  Sterimol/B1: 2.11027  Sterimol/B2: 3.32023  Sterimol/B3: 3.51188
  Sterimol/B4: 7.22587  Sterimol/L: 16.4501 
 
 Surface and Volume Properties
  Accessible surface: 533.981  Positive charged surface: 390.788  Negative charged surface: 143.193  Volume: 277.375
  Hydrophobic surface: 294.038  Hydrophilic surface: 239.943
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00484986
BACHEM-ZINC04899523