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CHEMDIV-ZINC06817433

 MMsINC code: MMs01040939
Type: Neutral
Formula: C19H16ClN3O3
SMILES:   Clc1cc(NC(=O)c2nn(c-3c2COc2c-3cccc2)C)ccc1OC
InChI:   InChI=1/C19H16ClN3O3/c1-23-18-12-5-3-4-6-15(12)26-10-13(18)17(22-23)19(24)21-11-7-8-16(25-2)14(20)9-11/h3-9H,10H2,1-2H3,(H,21,24)

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Potential Energy
Epot(MMFF94)=122.216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.808 g/mol  logS: -5.19047  SlogP: 4.5194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0144811  Sterimol/B1: 2.34189  Sterimol/B2: 2.84573  Sterimol/B3: 3.46133
  Sterimol/B4: 7.91721  Sterimol/L: 19.6087 
 
 Surface and Volume Properties
  Accessible surface: 607.102  Positive charged surface: 381.523  Negative charged surface: 225.579  Volume: 328.75
  Hydrophobic surface: 513.935  Hydrophilic surface: 93.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.