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CHEMDIV-ZINC01034581

 MMsINC code: MMs00861729
Type: Neutral
Formula: C19H13ClN4O2
SMILES:   Clc1ccc(cc1)C(=O)CN1C=Nc2n(ncc2C1=O)-c1ccccc1
InChI:   InChI=1/C19H13ClN4O2/c20-14-8-6-13(7-9-14)17(25)11-23-12-21-18-16(19(23)26)10-22-24(18)15-4-2-1-3-5-15/h1-10,12H,11H2

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Potential Energy
Epot(MMFF94)=90.1589 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: 0.0568427  Sterimol/B1: 2.80061  Sterimol/B2: 3.65118  Sterimol/B3: 3.66277
  Sterimol/B4: 6.8608  Sterimol/L: 19.7331 
 
 Surface and Volume Properties
  Accessible surface: 598.966  Positive charged surface: 294.032  Negative charged surface: 304.934  Volume: 322.875
  Hydrophobic surface: 497.036  Hydrophilic surface: 101.93
 
 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.