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PUBCHEM-ZINC06636678

 MMsINC code: MMs03832829
Type: Neutral
Formula: C13H27N3O3
SMILES:   OC(=O)C(NC(=O)NCCCN(CC)CC)C(C)C
InChI:   InChI=1/C13H27N3O3/c1-5-16(6-2)9-7-8-14-13(19)15-11(10(3)4)12(17)18/h10-11H,5-9H2,1-4H3,(H,17,18)(H2,14,15,19)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=10.2549 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.377 g/mol  logS: -1.085  SlogP: 1.1267  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0713427  Sterimol/B1: 2.03807  Sterimol/B2: 4.06418  Sterimol/B3: 4.64337
  Sterimol/B4: 6.69342  Sterimol/L: 16.2365 
 
 Surface and Volume Properties
  Accessible surface: 558.591  Positive charged surface: 414.248  Negative charged surface: 144.344  Volume: 284.625
  Hydrophobic surface: 343.771  Hydrophilic surface: 214.82
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.