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NCID-ZINC05181072

 MMsINC code: MMs02446358
Type: Neutral
Formula: C10H11S+
SMILES:   [S+]1(CC=Cc2c1cccc2)C
InChI:   InChI=1/C10H11S/c1-11-8-4-6-9-5-2-3-7-10(9)11/h2-7H,8H2,1H3/q+1/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=34.832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 163.264 g/mol  logS: -2.90412  SlogP: 2.3204  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173735  Sterimol/B1: 2.03396  Sterimol/B2: 2.37115  Sterimol/B3: 4.71679
  Sterimol/B4: 5.45194  Sterimol/L: 10.0732 
 
 Surface and Volume Properties
  Accessible surface: 352.854  Positive charged surface: 226.872  Negative charged surface: 125.981  Volume: 169.75
  Hydrophobic surface: 299.715  Hydrophilic surface: 53.139
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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.