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ASINEX-ZINC02701939

 MMsINC code: MMs00276565
Type: Neutral
Formula: C14H24N2O5
SMILES:   O=C1NCCN(C(OC(C)(C)C)=O)C1CC(OCCC)=O
InChI:   InChI=1/C14H24N2O5/c1-5-8-20-11(17)9-10-12(18)15-6-7-16(10)13(19)21-14(2,3)4/h10H,5-9H2,1-4H3,(H,15,18)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=56.5658 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.355 g/mol  logS: -1.85605  SlogP: 1.0652  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.118881  Sterimol/B1: 3.20198  Sterimol/B2: 3.83512  Sterimol/B3: 4.60139
  Sterimol/B4: 7.12537  Sterimol/L: 13.7269 
 
 Surface and Volume Properties
  Accessible surface: 552.457  Positive charged surface: 415.788  Negative charged surface: 136.669  Volume: 290.125
  Hydrophobic surface: 380.14  Hydrophilic surface: 172.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.