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CHEMDIV-ZINC03583828

 MMsINC code: MMs00910946
Type: Neutral
Formula: C21H18ClNO4
SMILES:   Clc1ccccc1-c1noc(C)c1C(Oc1ccc(cc1)C(=O)CCC)=O
InChI:   InChI=1/C21H18ClNO4/c1-3-6-18(24)14-9-11-15(12-10-14)26-21(25)19-13(2)27-23-20(19)16-7-4-5-8-17(16)22/h4-5,7-12H,3,6H2,1-2H3

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Potential Energy
Epot(MMFF94)=102.393 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.831 g/mol  logS: -6.61741  SlogP: 5.50542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0318762  Sterimol/B1: 3.29867  Sterimol/B2: 4.13306  Sterimol/B3: 6.12856
  Sterimol/B4: 6.33544  Sterimol/L: 18.3577 
 
 Surface and Volume Properties
  Accessible surface: 645.033  Positive charged surface: 326.06  Negative charged surface: 318.974  Volume: 352.875
  Hydrophobic surface: 544.241  Hydrophilic surface: 100.792
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.