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ENAMINE-ZINC03471687

 MMsINC code: MMs01461556
Type: Neutral
Formula: C16H15ClN2O5
SMILES:   Clc1ncccc1NC(=O)COC(=O)COc1ccc(OC)cc1
InChI:   InChI=1/C16H15ClN2O5/c1-22-11-4-6-12(7-5-11)23-10-15(21)24-9-14(20)19-13-3-2-8-18-16(13)17/h2-8H,9-10H2,1H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=109.577 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.758 g/mol  logS: -3.67765  SlogP: 2.3043  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.00866654  Sterimol/B1: 2.60061  Sterimol/B2: 2.8031  Sterimol/B3: 3.06356
  Sterimol/B4: 6.34338  Sterimol/L: 20.6057 
 
 Surface and Volume Properties
  Accessible surface: 617.472  Positive charged surface: 375.516  Negative charged surface: 241.956  Volume: 305.875
  Hydrophobic surface: 490.938  Hydrophilic surface: 126.534
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.