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ASINEX-ZINC00495128

 MMsINC code: MMs00137269
Type: Neutral
Formula: C15H10ClN3O3
SMILES:   Clc1ccc(nc1)NC(=O)C=1C(=O)Nc2c(cccc2)C=1O
InChI:   InChI=1/C15H10ClN3O3/c16-8-5-6-11(17-7-8)19-15(22)12-13(20)9-3-1-2-4-10(9)18-14(12)21/h1-7H,(H,17,19,22)(H2,18,20,21)

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Potential Energy
Epot(MMFF94)=66.5764 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.716 g/mol  logS: -3.6827  SlogP: 2.5949  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0312545  Sterimol/B1: 2.50068  Sterimol/B2: 2.78065  Sterimol/B3: 3.26218
  Sterimol/B4: 6.16639  Sterimol/L: 17.5395 
 
 Surface and Volume Properties
  Accessible surface: 519.441  Positive charged surface: 262.269  Negative charged surface: 257.172  Volume: 265.75
  Hydrophobic surface: 359.396  Hydrophilic surface: 160.045
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.