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ENAMINE-ZINC06881981

 MMsINC code: MMs01710484
Type: Neutral
Formula: C20H15ClN2O3S
SMILES:   Clc1ccc(cc1NC(=O)c1sccc1)C(=O)Nc1ccccc1C(=O)C
InChI:   InChI=1/C20H15ClN2O3S/c1-12(24)14-5-2-3-6-16(14)22-19(25)13-8-9-15(21)17(11-13)23-20(26)18-7-4-10-27-18/h2-11H,1H3,(H,22,25)(H,23,26)

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Potential Energy
Epot(MMFF94)=110.236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.87 g/mol  logS: -6.17809  SlogP: 5.1087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0122263  Sterimol/B1: 2.34609  Sterimol/B2: 3.27756  Sterimol/B3: 4.6573
  Sterimol/B4: 7.02705  Sterimol/L: 18.7262 
 
 Surface and Volume Properties
  Accessible surface: 631.176  Positive charged surface: 280.186  Negative charged surface: 350.99  Volume: 349.125
  Hydrophobic surface: 540.351  Hydrophilic surface: 90.825
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.