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OTAVA-ZINC05034744

 MMsINC code: MMs02588856
Type: Neutral
Formula: C20H13ClN2O2
SMILES:   Clc1ccc(NC(=O)c2cc3c(noc3-c3ccccc3)cc2)cc1
InChI:   InChI=1/C20H13ClN2O2/c21-15-7-9-16(10-8-15)22-20(24)14-6-11-18-17(12-14)19(25-23-18)13-4-2-1-3-5-13/h1-12H,(H,22,24)

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Potential Energy
Epot(MMFF94)=118.488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.789 g/mol  logS: -6.97737  SlogP: 5.4005  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0292893  Sterimol/B1: 2.40524  Sterimol/B2: 2.93012  Sterimol/B3: 3.24968
  Sterimol/B4: 8.29292  Sterimol/L: 17.8481 
 
 Surface and Volume Properties
  Accessible surface: 583.944  Positive charged surface: 259.887  Negative charged surface: 320.168  Volume: 316.625
  Hydrophobic surface: 508.127  Hydrophilic surface: 75.817
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.