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CHEMDIV-ZINC05139173

 MMsINC code: MMs00991348
Type: Neutral
Formula: C19H13ClN4O2
SMILES:   Clc1ccc(-n2ncc3c2N=CN(CC(=O)c2ccccc2)C3=O)cc1
InChI:   InChI=1/C19H13ClN4O2/c20-14-6-8-15(9-7-14)24-18-16(10-22-24)19(26)23(12-21-18)11-17(25)13-4-2-1-3-5-13/h1-10,12H,11H2

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Potential Energy
Epot(MMFF94)=89.0801 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.792 g/mol  logS: -5.28045  SlogP: 3.5242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0417955  Sterimol/B1: 3.43983  Sterimol/B2: 3.58797  Sterimol/B3: 3.97829
  Sterimol/B4: 5.83164  Sterimol/L: 19.6084 
 
 Surface and Volume Properties
  Accessible surface: 604.08  Positive charged surface: 296.089  Negative charged surface: 307.991  Volume: 325.25
  Hydrophobic surface: 501.325  Hydrophilic surface: 102.755
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.