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AURORAFEINCHEMIE-ZINC05306128

 MMsINC code: MMs00473618
Type: Neutral
Formula: C14H25N3O4
SMILES:   O(C(=O)C(NC(=O)N1CCC(CC1)C(=O)N)CC(C)C)C
InChI:   InChI=1/C14H25N3O4/c1-9(2)8-11(13(19)21-3)16-14(20)17-6-4-10(5-7-17)12(15)18/h9-11H,4-8H2,1-3H3,(H2,15,18)(H,16,20)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=21.4768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.371 g/mol  logS: -2.05335  SlogP: 0.481  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106592  Sterimol/B1: 2.40407  Sterimol/B2: 2.71609  Sterimol/B3: 4.21437
  Sterimol/B4: 8.74839  Sterimol/L: 15.3533 
 
 Surface and Volume Properties
  Accessible surface: 557.186  Positive charged surface: 420.268  Negative charged surface: 136.919  Volume: 292.25
  Hydrophobic surface: 361.922  Hydrophilic surface: 195.264
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.