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MAYBRIDGE-ZINC02160662

 MMsINC code: MMs02159234
Type: Neutral
Formula: C18H17Cl2NO4
SMILES:   Clc1cc(Cl)cc(\C=N\c2cc(ccc2O)CCC(OCC)=O)c1O
InChI:   InChI=1/C18H17Cl2NO4/c1-2-25-17(23)6-4-11-3-5-16(22)15(7-11)21-10-12-8-13(19)9-14(20)18(12)24/h3,5,7-10,22,24H,2,4,6H2,1H3/b21-10+

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Potential Energy
Epot(MMFF94)=74.715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.243 g/mol  logS: -4.70663  SlogP: 4.65087  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.030087  Sterimol/B1: 2.33019  Sterimol/B2: 4.07129  Sterimol/B3: 4.66898
  Sterimol/B4: 8.3432  Sterimol/L: 19.1296 
 
 Surface and Volume Properties
  Accessible surface: 651.169  Positive charged surface: 354.106  Negative charged surface: 297.063  Volume: 336.5
  Hydrophobic surface: 500.943  Hydrophilic surface: 150.226
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.