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ASINEX-ZINC00041611

 MMsINC code: MMs00062844
Type: Neutral
Formula: C14H26N2O3
SMILES:   O(C(C)(C)C)C(=O)N1CCCC1C(=O)NC(C)(C)C
InChI:   InChI=1/C14H26N2O3/c1-13(2,3)15-11(17)10-8-7-9-16(10)12(18)19-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,17)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=56.1781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.42215  SlogP: 2.3006  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110919  Sterimol/B1: 2.08646  Sterimol/B2: 3.98432  Sterimol/B3: 4.85755
  Sterimol/B4: 6.55562  Sterimol/L: 13.9701 
 
 Surface and Volume Properties
  Accessible surface: 528.614  Positive charged surface: 390.779  Negative charged surface: 137.835  Volume: 285.25
  Hydrophobic surface: 393.507  Hydrophilic surface: 135.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.