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ASINEX-ZINC01852331

 MMsINC code: MMs00259172
Type: Neutral
Formula: C23H16ClNO3
SMILES:   Clc1ccccc1-c1noc(C)c1C(Oc1ccc(cc1)-c1ccccc1)=O
InChI:   InChI=1/C23H16ClNO3/c1-15-21(22(25-28-15)19-9-5-6-10-20(19)24)23(26)27-18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14H,1H3

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Potential Energy
Epot(MMFF94)=124.712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.838 g/mol  logS: -8.01453  SlogP: 6.18962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0350341  Sterimol/B1: 2.12776  Sterimol/B2: 2.71837  Sterimol/B3: 4.55442
  Sterimol/B4: 10.3445  Sterimol/L: 17.5984 
 
 Surface and Volume Properties
  Accessible surface: 635.792  Positive charged surface: 274.872  Negative charged surface: 350.893  Volume: 361.5
  Hydrophobic surface: 588.414  Hydrophilic surface: 47.378
 
 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.