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IBS-ZINC04037357

 MMsINC code: MMs01876255
Type: Neutral
Formula: C19H18ClN3O3
SMILES:   Clc1cc(NC(=O)c2[nH]nc(c2)-c2cc(cc(C)c2O)C)ccc1OC
InChI:   InChI=1/C19H18ClN3O3/c1-10-6-11(2)18(24)13(7-10)15-9-16(23-22-15)19(25)21-12-4-5-17(26-3)14(20)8-12/h4-9,24H,1-3H3,(H,21,25)(H,22,23)

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Potential Energy
Epot(MMFF94)=95.467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.824 g/mol  logS: -5.39612  SlogP: 4.31344  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0117536  Sterimol/B1: 2.12934  Sterimol/B2: 2.54124  Sterimol/B3: 4.02692
  Sterimol/B4: 7.24437  Sterimol/L: 20.4893 
 
 Surface and Volume Properties
  Accessible surface: 631.478  Positive charged surface: 373.132  Negative charged surface: 258.347  Volume: 339.125
  Hydrophobic surface: 497.404  Hydrophilic surface: 134.074
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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: no related molecules available.