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ENAMINE-ZINC02636806

 MMsINC code: MMs01266178
Type: Neutral
Formula: C15H11Cl2N3O2S
SMILES:   Clc1cc(Cl)c(nc1C)NC(=O)CSc1oc2c(n1)cccc2
InChI:   InChI=1/C15H11Cl2N3O2S/c1-8-9(16)6-10(17)14(18-8)20-13(21)7-23-15-19-11-4-2-3-5-12(11)22-15/h2-6H,7H2,1H3,(H,18,20,21)

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Potential Energy
Epot(MMFF94)=63.1266 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.244 g/mol  logS: -6.46955  SlogP: 4.56882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00372326  Sterimol/B1: 2.12895  Sterimol/B2: 2.37786  Sterimol/B3: 2.51212
  Sterimol/B4: 7.62489  Sterimol/L: 19.6582 
 
 Surface and Volume Properties
  Accessible surface: 591.348  Positive charged surface: 272.844  Negative charged surface: 318.504  Volume: 303.125
  Hydrophobic surface: 460.02  Hydrophilic surface: 131.328
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.