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PUBCHEM-ZINC06626490

 MMsINC code: MMs03828528
Type: Neutral
Formula: C15H14ClNO3S
SMILES:   Clc1c2c(sc1C(=O)N1CCCC1C(OC)=O)cccc2
InChI:   InChI=1/C15H14ClNO3S/c1-20-15(19)10-6-4-8-17(10)14(18)13-12(16)9-5-2-3-7-11(9)21-13/h2-3,5,7,10H,4,6,8H2,1H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=88.3189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.8 g/mol  logS: -4.77321  SlogP: 3.3323  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0445955  Sterimol/B1: 2.49029  Sterimol/B2: 2.57663  Sterimol/B3: 4.0388
  Sterimol/B4: 7.26896  Sterimol/L: 15.7186 
 
 Surface and Volume Properties
  Accessible surface: 518.394  Positive charged surface: 302.047  Negative charged surface: 210.948  Volume: 279.25
  Hydrophobic surface: 471.729  Hydrophilic surface: 46.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.