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CHEMSTAR-ZINC04131554

 MMsINC code: MMs01108118
Type: Neutral
Formula: C26H24ClNO5
SMILES:   Clc1ccccc1C(=O)NC(CCC(OCc1ccccc1)=O)C(OCc1ccccc1)=O
InChI:   InChI=1/C26H24ClNO5/c27-22-14-8-7-13-21(22)25(30)28-23(26(31)33-18-20-11-5-2-6-12-20)15-16-24(29)32-17-19-9-3-1-4-10-19/h1-14,23H,15-18H2,(H,28,30)/t23-/m0/s1

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Potential Energy
Epot(MMFF94)=114.675 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 465.933 g/mol  logS: -6.70113  SlogP: 5.2382  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0652528  Sterimol/B1: 3.06682  Sterimol/B2: 3.41518  Sterimol/B3: 5.54118
  Sterimol/B4: 11.964  Sterimol/L: 19.5565 
 
 Surface and Volume Properties
  Accessible surface: 811.318  Positive charged surface: 440.376  Negative charged surface: 370.942  Volume: 435.875
  Hydrophobic surface: 721.128  Hydrophilic surface: 90.19
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.