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CHEMDIV-ZINC02952845

 MMsINC code: MMs00897541
Type: Neutral
Formula: C18H15ClN2O4
SMILES:   Clc1cc(NC(=O)C2=Cc3c(OC2=O)c(ncc3CO)C)ccc1C
InChI:   InChI=1/C18H15ClN2O4/c1-9-3-4-12(5-15(9)19)21-17(23)14-6-13-11(8-22)7-20-10(2)16(13)25-18(14)24/h3-7,22H,8H2,1-2H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=88.5205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.781 g/mol  logS: -4.49805  SlogP: 3.05164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0237813  Sterimol/B1: 3.07335  Sterimol/B2: 3.69484  Sterimol/B3: 5.14815
  Sterimol/B4: 5.36816  Sterimol/L: 16.9996 
 
 Surface and Volume Properties
  Accessible surface: 589.787  Positive charged surface: 340.377  Negative charged surface: 249.409  Volume: 313.75
  Hydrophobic surface: 441.863  Hydrophilic surface: 147.924
 
 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.