MMsINC Database Search


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MMsINC code: MMs02308122

Type: Neutral
Formula: C₁₅H₁₄S₂

SMILES:

S1CCSC1(c1ccccc1)c1ccccc1

InChI:

InChI=1/C15H14S2/c1-3-7-13(8-4-1)15(16-11-12-17-15)14-9-5-2-6-10-14/h1-10H,11-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.3661 kcal/mol

Physical Properties
Molecular Weight: 258.409 g/mol	logS: -5.3149	SlogP: 4.6792	Reactive groups: 0

Topological Properties
Globularity: 0.327571	Sterimol/B1: 2.24742	Sterimol/B2: 3.61312	Sterimol/B3: 3.73397
Sterimol/B4: 7.84058	Sterimol/L: 11.6109

Surface and Volume Properties
Accessible surface: 459.687	Positive charged surface: 264.781	Negative charged surface: 194.906	Volume: 251
Hydrophobic surface: 417.823	Hydrophilic surface: 41.864

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.