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PUBCHEM-ZINC06491419

 MMsINC code: MMs03765043
Type: Neutral
Formula: C13H23N3O4
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)N1CCCC1C(=O)N)C
InChI:   InChI=1/C13H23N3O4/c1-8(15-12(19)20-13(2,3)4)11(18)16-7-5-6-9(16)10(14)17/h8-9H,5-7H2,1-4H3,(H2,14,17)(H,15,19)/t8-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=56.6456 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.344 g/mol  logS: -2.04629  SlogP: 0.3759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0781566  Sterimol/B1: 2.14568  Sterimol/B2: 2.5327  Sterimol/B3: 5.03862
  Sterimol/B4: 6.82424  Sterimol/L: 15.3175 
 
 Surface and Volume Properties
  Accessible surface: 535.625  Positive charged surface: 378.85  Negative charged surface: 156.776  Volume: 277.125
  Hydrophobic surface: 309.692  Hydrophilic surface: 225.933
 
 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.