MMsINC Database Search


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MMsINC code: MMs00015569

Type: Neutral
Formula: C₁₉H₁₆S

SMILES:

SC(c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H16S/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.879 kcal/mol

Physical Properties
Molecular Weight: 276.403 g/mol	logS: -5.8827	SlogP: 5.2198	Reactive groups: 1

Topological Properties
Globularity: 0.333877	Sterimol/B1: 2.48076	Sterimol/B2: 3.08138	Sterimol/B3: 5.47123
Sterimol/B4: 9.35678	Sterimol/L: 11.5113

Surface and Volume Properties
Accessible surface: 489.556	Positive charged surface: 259.196	Negative charged surface: 230.361	Volume: 281.375
Hydrophobic surface: 456.856	Hydrophilic surface: 32.7

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: 1

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Ions/Tautomers related molecules: no related molecules available.