MMsINC Database Search


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MMsINC code: MMs02100860

Type: Neutral
Formula: C₁₅H₁₂N₂S₂

SMILES:

S(c1ccccc1)c1nc(SC)nc2c1cccc2

InChI:

InChI=1/C15H12N2S2/c1-18-15-16-13-10-6-5-9-12(13)14(17-15)19-11-7-3-2-4-8-11/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.044 kcal/mol

Physical Properties
Molecular Weight: 284.407 g/mol	logS: -6.91408	SlogP: 4.5029	Reactive groups: 0

Topological Properties
Globularity: 0.128132	Sterimol/B1: 2.46917	Sterimol/B2: 3.53139	Sterimol/B3: 4.46129
Sterimol/B4: 8.41194	Sterimol/L: 13.1561

Surface and Volume Properties
Accessible surface: 497.48	Positive charged surface: 236.51	Negative charged surface: 257.998	Volume: 264
Hydrophobic surface: 386.264	Hydrophilic surface: 111.216

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.