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CHEMDIV-ZINC02070155

 MMsINC code: MMs00870271
Type: Neutral
Formula: C24H16ClNO4
SMILES:   Clc1ccccc1-c1noc(C)c1C(Oc1ccc(cc1)C(=O)c1ccccc1)=O
InChI:   InChI=1/C24H16ClNO4/c1-15-21(22(26-30-15)19-9-5-6-10-20(19)25)24(28)29-18-13-11-17(12-14-18)23(27)16-7-3-2-4-8-16/h2-14H,1H3

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Potential Energy
Epot(MMFF94)=141.15 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.848 g/mol  logS: -7.66096  SlogP: 5.75362  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0655285  Sterimol/B1: 2.02894  Sterimol/B2: 2.79306  Sterimol/B3: 4.84717
  Sterimol/B4: 10.1144  Sterimol/L: 17.418 
 
 Surface and Volume Properties
  Accessible surface: 665.32  Positive charged surface: 296.609  Negative charged surface: 368.711  Volume: 376.5
  Hydrophobic surface: 584.891  Hydrophilic surface: 80.429
 
 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.