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PUBCHEM-ZINC04238447

 MMsINC code: MMs03106096
Type: Neutral
Formula: C19H13ClN4O2
SMILES:   Clc1ccc(cc1)C1=Nc2c(nc(OC)nc2)N(C1=O)c1ccccc1
InChI:   InChI=1/C19H13ClN4O2/c1-26-19-21-11-15-17(23-19)24(14-5-3-2-4-6-14)18(25)16(22-15)12-7-9-13(20)10-8-12/h2-11H,1H3

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Potential Energy
Epot(MMFF94)=113.187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.792 g/mol  logS: -6.27775  SlogP: 3.9377  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0578521  Sterimol/B1: 2.06207  Sterimol/B2: 3.38772  Sterimol/B3: 3.61923
  Sterimol/B4: 9.80618  Sterimol/L: 17.1118 
 
 Surface and Volume Properties
  Accessible surface: 605.004  Positive charged surface: 358.711  Negative charged surface: 246.293  Volume: 322.375
  Hydrophobic surface: 530.47  Hydrophilic surface: 74.534
 
 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.