MMsINC Database Search


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MMsINC code: MMs02267913

Type: Neutral
Formula: C₁₆H₁₄S₂

SMILES:

S1SCC(=C(C1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C16H14S2/c1-3-7-13(8-4-1)15-11-17-18-12-16(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)=89.6481 kcal/mol

Physical Properties
Molecular Weight: 270.42 g/mol	logS: -5.89586	SlogP: 4.9924	Reactive groups: 1

Topological Properties
Globularity: 0.262048	Sterimol/B1: 2.65696	Sterimol/B2: 3.16978	Sterimol/B3: 4.09985
Sterimol/B4: 7.33715	Sterimol/L: 11.1936

Surface and Volume Properties
Accessible surface: 454.088	Positive charged surface: 250.362	Negative charged surface: 203.727	Volume: 260.875
Hydrophobic surface: 347.086	Hydrophilic surface: 107.002

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.