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PUBCHEM-ZINC05759519

 MMsINC code: MMs03373373
Type: Neutral
Formula: C13H23N3O3
SMILES:   O=C(N)C1N(CCC1)C(=O)C(NC(=O)C)CC(C)C
InChI:   InChI=1/C13H23N3O3/c1-8(2)7-10(15-9(3)17)13(19)16-6-4-5-11(16)12(14)18/h8,10-11H,4-7H2,1-3H3,(H2,14,18)(H,15,17)/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=77.3397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.345 g/mol  logS: -2.22741  SlogP: 0.0135  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.251892  Sterimol/B1: 3.09824  Sterimol/B2: 3.58675  Sterimol/B3: 4.85046
  Sterimol/B4: 6.30864  Sterimol/L: 12.9472 
 
 Surface and Volume Properties
  Accessible surface: 493.202  Positive charged surface: 351.795  Negative charged surface: 141.407  Volume: 265
  Hydrophobic surface: 318.06  Hydrophilic surface: 175.142
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.