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PUBCHEM-ZINC06505084

 MMsINC code: MMs03774165
Type: Neutral
Formula: C15H14ClN3O5
SMILES:   Clc1cc(ccc1)C(OCC(=O)NC=1N(C)C(=O)N(C)C(=O)C=1)=O
InChI:   InChI=1/C15H14ClN3O5/c1-18-11(7-13(21)19(2)15(18)23)17-12(20)8-24-14(22)9-4-3-5-10(16)6-9/h3-7H,8H2,1-2H3,(H,17,20)

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Potential Energy
Epot(MMFF94)=45.5784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.746 g/mol  logS: -3.63876  SlogP: 0.9782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.046132  Sterimol/B1: 2.28192  Sterimol/B2: 4.83625  Sterimol/B3: 4.84945
  Sterimol/B4: 5.49369  Sterimol/L: 17.7463 
 
 Surface and Volume Properties
  Accessible surface: 576.035  Positive charged surface: 332.691  Negative charged surface: 243.344  Volume: 297.75
  Hydrophobic surface: 419.09  Hydrophilic surface: 156.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.