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ENAMINE-ZINC03369262

 MMsINC code: MMs01400719
Type: Neutral
Formula: C17H19ClN2O5
SMILES:   Clc1ccc(cc1)C(=O)COC(=O)CN1C(=O)C(NC1=O)(CC)CC
InChI:   InChI=1/C17H19ClN2O5/c1-3-17(4-2)15(23)20(16(24)19-17)9-14(22)25-10-13(21)11-5-7-12(18)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,19,24)

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Potential Energy
Epot(MMFF94)=44.8465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.801 g/mol  logS: -4.33416  SlogP: 2.1765  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0331754  Sterimol/B1: 2.57114  Sterimol/B2: 3.54802  Sterimol/B3: 4.39379
  Sterimol/B4: 6.60557  Sterimol/L: 19.1014 
 
 Surface and Volume Properties
  Accessible surface: 607.062  Positive charged surface: 326.637  Negative charged surface: 280.425  Volume: 324
  Hydrophobic surface: 422.61  Hydrophilic surface: 184.452
 
 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.