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CHEMBLOCK-ZINC04623152

 MMsINC code: MMs00563532
Type: Neutral
Formula: C20H16ClN3O3
SMILES:   Clc1ccc(cc1)-c1n(cc2N(C)C(=O)N(C)C(=O)c12)-c1ccccc1O
InChI:   InChI=1/C20H16ClN3O3/c1-22-15-11-24(14-5-3-4-6-16(14)25)18(12-7-9-13(21)10-8-12)17(15)19(26)23(2)20(22)27/h3-11,25H,1-2H3

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Potential Energy
Epot(MMFF94)=72.2309 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: 0.109329  Sterimol/B1: 2.12571  Sterimol/B2: 3.5594  Sterimol/B3: 4.05174
  Sterimol/B4: 10.1031  Sterimol/L: 14.1566 
 
 Surface and Volume Properties
  Accessible surface: 591.192  Positive charged surface: 363.243  Negative charged surface: 227.949  Volume: 342.125
  Hydrophobic surface: 490.688  Hydrophilic surface: 100.504
 
 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.