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CHEMDIV-ZINC06804454

 MMsINC code: MMs01031700
Type: Neutral
Formula: C20H16ClN3O3
SMILES:   Clc1ccccc1-c1n(cc2N(C)C(=O)N(C)C(=O)c12)-c1ccc(O)cc1
InChI:   InChI=1/C20H16ClN3O3/c1-22-16-11-24(12-7-9-13(25)10-8-12)18(14-5-3-4-6-15(14)21)17(16)19(26)23(2)20(22)27/h3-11,25H,1-2H3

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Potential Energy
Epot(MMFF94)=71.9552 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.819 g/mol  logS: -4.65453  SlogP: 4.1451  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.09566  Sterimol/B1: 2.00648  Sterimol/B2: 3.32566  Sterimol/B3: 5.04139
  Sterimol/B4: 9.50392  Sterimol/L: 14.9939 
 
 Surface and Volume Properties
  Accessible surface: 590.081  Positive charged surface: 364.723  Negative charged surface: 225.359  Volume: 341.25
  Hydrophobic surface: 467.368  Hydrophilic surface: 122.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.