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ENAMINE-ZINC03311594

 MMsINC code: MMs01364248
Type: Neutral
Formula: C17H17Cl2NO4
SMILES:   Clc1ccc(Cl)nc1Oc1ccc(OC(C(OC(C)C)=O)C)cc1
InChI:   InChI=1/C17H17Cl2NO4/c1-10(2)22-17(21)11(3)23-12-4-6-13(7-5-12)24-16-14(18)8-9-15(19)20-16/h4-11H,1-3H3/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=88.4317 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.232 g/mol  logS: -5.44073  SlogP: 4.8996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0437088  Sterimol/B1: 2.9633  Sterimol/B2: 4.24475  Sterimol/B3: 4.47427
  Sterimol/B4: 5.47273  Sterimol/L: 18.8892 
 
 Surface and Volume Properties
  Accessible surface: 644.102  Positive charged surface: 320.823  Negative charged surface: 323.28  Volume: 325.25
  Hydrophobic surface: 529.387  Hydrophilic surface: 114.715
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.