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ASINEX-ZINC00887207

 MMsINC code: MMs00208459
Type: Neutral
Formula: C19H13Cl2NO3
SMILES:   Clc1cc(Cl)cc2C=C(C(=O)N3CCc4c(C3)cccc4)C(Oc12)=O
InChI:   InChI=1/C19H13Cl2NO3/c20-14-7-13-8-15(19(24)25-17(13)16(21)9-14)18(23)22-6-5-11-3-1-2-4-12(11)10-22/h1-4,7-9H,5-6,10H2

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Potential Energy
Epot(MMFF94)=80.9903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.223 g/mol  logS: -6.26752  SlogP: 4.14707  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111962  Sterimol/B1: 3.28077  Sterimol/B2: 4.61094  Sterimol/B3: 4.75403
  Sterimol/B4: 6.98434  Sterimol/L: 15.3294 
 
 Surface and Volume Properties
  Accessible surface: 582.779  Positive charged surface: 259.074  Negative charged surface: 323.705  Volume: 316.875
  Hydrophobic surface: 500.384  Hydrophilic surface: 82.395
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.