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PUBCHEM-ZINC06554879

 MMsINC code: MMs03793509
Type: Neutral
Formula: C12H25N3O3
SMILES:   OC(=O)C(NC(=O)NCCCN(C)C)C(CC)C
InChI:   InChI=1/C12H25N3O3/c1-5-9(2)10(11(16)17)14-12(18)13-7-6-8-15(3)4/h9-10H,5-8H2,1-4H3,(H,16,17)(H2,13,14,18)/t9-,10+/m1/s1

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Potential Energy
Epot(MMFF94)=8.99437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 259.35 g/mol  logS: -0.9458  SlogP: 0.7366  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0633688  Sterimol/B1: 2.49428  Sterimol/B2: 3.03335  Sterimol/B3: 3.80217
  Sterimol/B4: 7.56804  Sterimol/L: 16.5311 
 
 Surface and Volume Properties
  Accessible surface: 541.618  Positive charged surface: 424.9  Negative charged surface: 116.718  Volume: 269.375
  Hydrophobic surface: 368.23  Hydrophilic surface: 173.388
 
 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: no related molecules available.