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CHEMDIV-ZINC03035167

 MMsINC code: MMs00906074
Type: Neutral
Formula: C24H19ClN2OS
SMILES:   Clc1ccccc1Sc1nc2c(cccc2)c(c1)C(=O)NC(C)c1ccccc1
InChI:   InChI=1/C24H19ClN2OS/c1-16(17-9-3-2-4-10-17)26-24(28)19-15-23(27-21-13-7-5-11-18(19)21)29-22-14-8-6-12-20(22)25/h2-16H,1H3,(H,26,28)/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=91.3971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.948 g/mol  logS: -8.10547  SlogP: 6.6259  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0545928  Sterimol/B1: 3.22318  Sterimol/B2: 5.03096  Sterimol/B3: 5.39251
  Sterimol/B4: 6.58191  Sterimol/L: 18.1411 
 
 Surface and Volume Properties
  Accessible surface: 681.253  Positive charged surface: 334.718  Negative charged surface: 340.251  Volume: 391.75
  Hydrophobic surface: 596.518  Hydrophilic surface: 84.735
 
 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.