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CHEMDIV-ZINC00200537

 MMsINC code: MMs00838295
Type: Neutral
Formula: C18H17ClN2OS
SMILES:   Clc1sc(cc1)-c1nc2c(cccc2)c(c1)C(=O)NC(CC)C
InChI:   InChI=1/C18H17ClN2OS/c1-3-11(2)20-18(22)13-10-15(16-8-9-17(19)23-16)21-14-7-5-4-6-12(13)14/h4-11H,3H2,1-2H3,(H,20,22)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=63.0864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.866 g/mol  logS: -6.03902  SlogP: 5.145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0704759  Sterimol/B1: 2.14843  Sterimol/B2: 5.4301  Sterimol/B3: 6.42109
  Sterimol/B4: 8.46459  Sterimol/L: 13.7407 
 
 Surface and Volume Properties
  Accessible surface: 589.2  Positive charged surface: 290.329  Negative charged surface: 293.756  Volume: 319.5
  Hydrophobic surface: 502.494  Hydrophilic surface: 86.706
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.