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AURORAFEINCHEMIE-ZINC02137852

 MMsINC code: MMs00451343
Type: Neutral
Formula: C13H23N3O4
SMILES:   OC(=O)CNC(=O)C1CCN(CC1)C(=O)C(N)C(C)C
InChI:   InChI=1/C13H23N3O4/c1-8(2)11(14)13(20)16-5-3-9(4-6-16)12(19)15-7-10(17)18/h8-9,11H,3-7,14H2,1-2H3,(H,15,19)(H,17,18)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=64.0556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.344 g/mol  logS: -0.5565  SlogP: -0.5909  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0813582  Sterimol/B1: 2.41008  Sterimol/B2: 3.07985  Sterimol/B3: 4.67273
  Sterimol/B4: 6.07527  Sterimol/L: 15.3423 
 
 Surface and Volume Properties
  Accessible surface: 510.474  Positive charged surface: 360.735  Negative charged surface: 149.74  Volume: 271.875
  Hydrophobic surface: 255.282  Hydrophilic surface: 255.192
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.