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NCID-ZINC01576156

 MMsINC code: MMs02234767
Type: Neutral
Formula: C18H10S
SMILES:   s1c2c3c4c(c5c(c3ccc2)cccc5)cccc14
InChI:   InChI=1/C18H10S/c1-2-6-12-11(5-1)13-7-3-9-15-17(13)18-14(12)8-4-10-16(18)19-15/h1-10H

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Potential Energy
Epot(MMFF94)=85.9025 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.344 g/mol  logS: -7.93925  SlogP: 5.7987  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.08563e-07  Sterimol/B1: 2.18064  Sterimol/B2: 2.18936  Sterimol/B3: 5.29022
  Sterimol/B4: 6.66764  Sterimol/L: 11.9476 
 
 Surface and Volume Properties
  Accessible surface: 442.055  Positive charged surface: 184.096  Negative charged surface: 224.745  Volume: 245.75
  Hydrophobic surface: 442.055  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.