MMsINC Database Search


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MMsINC code: MMs03231260

Type: Neutral
Formula: C₁₅H₁₄S

SMILES:

S(\C(=C/C)\c1ccccc1)c1ccccc1

InChI:

InChI=1/C15H14S/c1-2-15(13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h2-12H,1H3/b15-2-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.2368 kcal/mol

Physical Properties
Molecular Weight: 226.343 g/mol	logS: -4.75291	SlogP: 4.8397	Reactive groups: 0

Topological Properties
Globularity: 0.168167	Sterimol/B1: 2.23965	Sterimol/B2: 3.5719	Sterimol/B3: 3.90618
Sterimol/B4: 8.58934	Sterimol/L: 12.1813

Surface and Volume Properties
Accessible surface: 453.402	Positive charged surface: 239.795	Negative charged surface: 213.607	Volume: 237.125
Hydrophobic surface: 416.416	Hydrophilic surface: 36.986

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.