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PUBCHEM-ZINC02796273

 MMsINC code: MMs02928970
Type: Neutral
Formula: C19H20ClN3O3
SMILES:   Clc1ccccc1OCc1oc(cc1)C(=O)N(Cc1nn(cc1)CC)C
InChI:   InChI=1/C19H20ClN3O3/c1-3-23-11-10-14(21-23)12-22(2)19(24)18-9-8-15(26-18)13-25-17-7-5-4-6-16(17)20/h4-11H,3,12-13H2,1-2H3

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Potential Energy
Epot(MMFF94)=77.2008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.84 g/mol  logS: -4.46016  SlogP: 4.7998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0635687  Sterimol/B1: 2.49387  Sterimol/B2: 3.34791  Sterimol/B3: 4.80744
  Sterimol/B4: 8.06697  Sterimol/L: 18.2496 
 
 Surface and Volume Properties
  Accessible surface: 674.231  Positive charged surface: 411.963  Negative charged surface: 262.269  Volume: 350.375
  Hydrophobic surface: 583.398  Hydrophilic surface: 90.833
 
 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.