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ASINEX-ZINC00862360

 MMsINC code: MMs00197867
Type: Neutral
Formula: C18H16ClN3O3
SMILES:   Clc1ccc(nc1)NC(=O)C=1C(=O)N(c2c(cccc2)C=1O)CCC
InChI:   InChI=1/C18H16ClN3O3/c1-2-9-22-13-6-4-3-5-12(13)16(23)15(18(22)25)17(24)21-14-8-7-11(19)10-20-14/h3-8,10,23H,2,9H2,1H3,(H,20,21,24)

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Potential Energy
Epot(MMFF94)=80.6604 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.797 g/mol  logS: -4.10569  SlogP: 3.3994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0365429  Sterimol/B1: 2.2411  Sterimol/B2: 2.91384  Sterimol/B3: 3.08692
  Sterimol/B4: 9.14112  Sterimol/L: 17.2332 
 
 Surface and Volume Properties
  Accessible surface: 585.479  Positive charged surface: 320.312  Negative charged surface: 265.167  Volume: 318.625
  Hydrophobic surface: 443.16  Hydrophilic surface: 142.319
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.