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NCID-ZINC05328266

 MMsINC code: MMs02451428
Type: Neutral
Formula: C15H14ClN3O2
SMILES:   Clc1cc(NN=Nc2ccccc2C(OC)=O)ccc1C
InChI:   InChI=1/C15H14ClN3O2/c1-10-7-8-11(9-13(10)16)17-19-18-14-6-4-3-5-12(14)15(20)21-2/h3-9H,1-2H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=69.1121 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.749 g/mol  logS: -4.25146  SlogP: 4.54582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00489238  Sterimol/B1: 2.37528  Sterimol/B2: 2.51271  Sterimol/B3: 4.70907
  Sterimol/B4: 5.47701  Sterimol/L: 16.8147 
 
 Surface and Volume Properties
  Accessible surface: 551.436  Positive charged surface: 307.386  Negative charged surface: 244.05  Volume: 279.25
  Hydrophobic surface: 496.289  Hydrophilic surface: 55.147
 
 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.