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ENAMINE-ZINC05102569

 MMsINC code: MMs01585873
Type: Neutral
Formula: C19H23ClN2O3
SMILES:   Clc1ccccc1Cn1nc(C)c(C(OCC(=O)C(C)(C)C)=O)c1C
InChI:   InChI=1/C19H23ClN2O3/c1-12-17(18(24)25-11-16(23)19(3,4)5)13(2)22(21-12)10-14-8-6-7-9-15(14)20/h6-9H,10-11H2,1-5H3

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Potential Energy
Epot(MMFF94)=83.8951 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.857 g/mol  logS: -4.16965  SlogP: 4.24004  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.117366  Sterimol/B1: 2.31817  Sterimol/B2: 2.87685  Sterimol/B3: 6.17966
  Sterimol/B4: 8.55323  Sterimol/L: 15.9978 
 
 Surface and Volume Properties
  Accessible surface: 642.75  Positive charged surface: 364.237  Negative charged surface: 278.513  Volume: 348.875
  Hydrophobic surface: 511.575  Hydrophilic surface: 131.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: no related molecules available.