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ASINEX-ZINC00306427

 MMsINC code: MMs00115112
Type: Neutral
Formula: C16H12ClN3O3
SMILES:   Clc1ccc(nc1)NC(=O)C=1C(=O)N(c2c(cccc2)C=1O)C
InChI:   InChI=1/C16H12ClN3O3/c1-20-11-5-3-2-4-10(11)14(21)13(16(20)23)15(22)19-12-7-6-9(17)8-18-12/h2-8,21H,1H3,(H,18,19,22)

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Potential Energy
Epot(MMFF94)=82.1467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.743 g/mol  logS: -3.57671  SlogP: 2.6192  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0340483  Sterimol/B1: 2.19214  Sterimol/B2: 2.81361  Sterimol/B3: 3.49277
  Sterimol/B4: 7.26859  Sterimol/L: 17.5249 
 
 Surface and Volume Properties
  Accessible surface: 531.466  Positive charged surface: 289.552  Negative charged surface: 241.914  Volume: 282.375
  Hydrophobic surface: 407.197  Hydrophilic surface: 124.269
 
 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.