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ENAMINE-ZINC03421586

 MMsINC code: MMs01432224
Type: Neutral
Formula: C15H14ClN3O5
SMILES:   Clc1ccc(cc1)C(OCC(=O)Nc1nc(OC)cc(OC)n1)=O
InChI:   InChI=1/C15H14ClN3O5/c1-22-12-7-13(23-2)19-15(18-12)17-11(20)8-24-14(21)9-3-5-10(16)6-4-9/h3-7H,8H2,1-2H3,(H,17,18,19,20)

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Potential Energy
Epot(MMFF94)=29.545 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.746 g/mol  logS: -4.72521  SlogP: 1.9427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00601604  Sterimol/B1: 2.37477  Sterimol/B2: 2.37658  Sterimol/B3: 2.57422
  Sterimol/B4: 7.99767  Sterimol/L: 19.2757 
 
 Surface and Volume Properties
  Accessible surface: 600.773  Positive charged surface: 388.325  Negative charged surface: 212.447  Volume: 301.25
  Hydrophobic surface: 463.783  Hydrophilic surface: 136.99
 
 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.