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ASINEX-ZINC01858092

 MMsINC code: MMs00259212
Type: Neutral
Formula: C24H18ClNO3
SMILES:   Clc1ccccc1-c1noc(C)c1C(Oc1ccc(cc1)-c1ccc(cc1)C)=O
InChI:   InChI=1/C24H18ClNO3/c1-15-7-9-17(10-8-15)18-11-13-19(14-12-18)28-24(27)22-16(2)29-26-23(22)20-5-3-4-6-21(20)25/h3-14H,1-2H3

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Potential Energy
Epot(MMFF94)=127.057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.865 g/mol  logS: -8.48845  SlogP: 6.49804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0269897  Sterimol/B1: 3.03997  Sterimol/B2: 4.29503  Sterimol/B3: 5.67454
  Sterimol/B4: 6.81412  Sterimol/L: 18.4543 
 
 Surface and Volume Properties
  Accessible surface: 668.781  Positive charged surface: 299.755  Negative charged surface: 358.794  Volume: 377.25
  Hydrophobic surface: 621.518  Hydrophilic surface: 47.263
 
 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.