MMsINC Database Search


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MMsINC code: MMs02360121

Type: Neutral
Formula: C₁₅H₁₀OS₂

SMILES:

S1C(=CSC1=O)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C15H10OS2/c16-15-17-10-14(18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.8058 kcal/mol

Physical Properties
Molecular Weight: 270.376 g/mol	logS: -5.50739	SlogP: 5.252	Reactive groups: 0

Topological Properties
Globularity: 5.16096e-07	Sterimol/B1: 2.18422	Sterimol/B2: 2.19153	Sterimol/B3: 3.61569
Sterimol/B4: 3.73652	Sterimol/L: 16.3851

Surface and Volume Properties
Accessible surface: 472.851	Positive charged surface: 164.664	Negative charged surface: 297.116	Volume: 247.5
Hydrophobic surface: 331.396	Hydrophilic surface: 141.455

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.