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ASINEX-ZINC01859473

 MMsINC code: MMs00259216
Type: Neutral
Formula: C25H20ClNO3
SMILES:   Clc1ccccc1-c1noc(C)c1C(Oc1ccc(cc1C)-c1ccc(cc1)C)=O
InChI:   InChI=1/C25H20ClNO3/c1-15-8-10-18(11-9-15)19-12-13-22(16(2)14-19)29-25(28)23-17(3)30-27-24(23)20-6-4-5-7-21(20)26/h4-14H,1-3H3

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Potential Energy
Epot(MMFF94)=130.623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.892 g/mol  logS: -8.64892  SlogP: 6.80646  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0283783  Sterimol/B1: 3.15472  Sterimol/B2: 4.17444  Sterimol/B3: 5.72695
  Sterimol/B4: 6.8123  Sterimol/L: 18.4661 
 
 Surface and Volume Properties
  Accessible surface: 676.074  Positive charged surface: 310.673  Negative charged surface: 355.169  Volume: 393.125
  Hydrophobic surface: 633.112  Hydrophilic surface: 42.962
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.