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CHEMDIV-ZINC02466025

 MMsINC code: MMs00878299
Type: Neutral
Formula: C19H23N3O4
SMILES:   O1CCN(CC1)CCNC(=O)c1noc-2c1CCc1cc(OC)ccc1-2
InChI:   InChI=1/C19H23N3O4/c1-24-14-3-5-15-13(12-14)2-4-16-17(21-26-18(15)16)19(23)20-6-7-22-8-10-25-11-9-22/h3,5,12H,2,4,6-11H2,1H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=111.163 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.41 g/mol  logS: -3.49756  SlogP: 1.51074  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0180182  Sterimol/B1: 2.96116  Sterimol/B2: 3.39087  Sterimol/B3: 3.6946
  Sterimol/B4: 4.92898  Sterimol/L: 21.8842 
 
 Surface and Volume Properties
  Accessible surface: 631.613  Positive charged surface: 490.635  Negative charged surface: 140.979  Volume: 336.875
  Hydrophobic surface: 529.568  Hydrophilic surface: 102.045
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00878300
CHEMDIV-ZINC02466025