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CHEMBLOCK-ZINC02637625

 MMsINC code: MMs00533241
Type: Neutral
Formula: C14H14ClNO2S2
SMILES:   Clc1sc(S(=O)(=O)NC2CCCc3c2cccc3)cc1
InChI:   InChI=1/C14H14ClNO2S2/c15-13-8-9-14(19-13)20(17,18)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12,16H,3,5,7H2/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=25.8235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.856 g/mol  logS: -4.90218  SlogP: 3.85287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0781471  Sterimol/B1: 3.35553  Sterimol/B2: 3.64733  Sterimol/B3: 3.87978
  Sterimol/B4: 5.69718  Sterimol/L: 14.7749 
 
 Surface and Volume Properties
  Accessible surface: 503.194  Positive charged surface: 223.507  Negative charged surface: 279.688  Volume: 275.75
  Hydrophobic surface: 428.459  Hydrophilic surface: 74.735
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.