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CHEMBLOCK-ZINC00274448

 MMsINC code: MMs00503947
Type: Neutral
Formula: C17H15ClN2O3
SMILES:   Clc1ccc(cc1)C1(O)N(N=C(C1)C)C(=O)c1cc(O)ccc1
InChI:   InChI=1/C17H15ClN2O3/c1-11-10-17(23,13-5-7-14(18)8-6-13)20(19-11)16(22)12-3-2-4-15(21)9-12/h2-9,21,23H,10H2,1H3/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=95.9825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.771 g/mol  logS: -3.99484  SlogP: 3.4242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138936  Sterimol/B1: 2.22375  Sterimol/B2: 3.71655  Sterimol/B3: 4.68532
  Sterimol/B4: 8.63096  Sterimol/L: 14.5984 
 
 Surface and Volume Properties
  Accessible surface: 549.842  Positive charged surface: 281.777  Negative charged surface: 268.064  Volume: 297.625
  Hydrophobic surface: 441.345  Hydrophilic surface: 108.497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.