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ASINEX-ZINC04187958

 MMsINC code: MMs00316261
Type: Neutral
Formula: C15H22N2O4
SMILES:   O1CCN(CC1)CCNC(=O)C1C2CC(C=C2)C1C(O)=O
InChI:   InChI=1/C15H22N2O4/c18-14(16-3-4-17-5-7-21-8-6-17)12-10-1-2-11(9-10)13(12)15(19)20/h1-2,10-13H,3-9H2,(H,16,18)(H,19,20)/t10-,11+,12+,13+/m1/s1

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Potential Energy
Epot(MMFF94)=71.3872 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.351 g/mol  logS: -0.29296  SlogP: -0.0423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0564079  Sterimol/B1: 3.22633  Sterimol/B2: 3.65524  Sterimol/B3: 3.80085
  Sterimol/B4: 5.37159  Sterimol/L: 15.7717 
 
 Surface and Volume Properties
  Accessible surface: 533.399  Positive charged surface: 417.308  Negative charged surface: 116.091  Volume: 278.875
  Hydrophobic surface: 379.564  Hydrophilic surface: 153.835
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.