MMsINC Database Search


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MMsINC code: MMs02423075

Type: Neutral
Formula: C₁₅H₁₆O₂S₂

SMILES:

S(=O)(Cc1ccccc1)CS(=O)Cc1ccccc1

InChI:

InChI=1/C15H16O2S2/c16-18(11-14-7-3-1-4-8-14)13-19(17)12-15-9-5-2-6-10-15/h1-10H,11-13H2/t18-,19+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.859 kcal/mol

Physical Properties
Molecular Weight: 292.423 g/mol	logS: -3.35314	SlogP: 3.3745	Reactive groups: 0

Topological Properties
Globularity: 0.0429718	Sterimol/B1: 2.09921	Sterimol/B2: 3.60051	Sterimol/B3: 3.73315
Sterimol/B4: 4.24176	Sterimol/L: 18.018

Surface and Volume Properties
Accessible surface: 536.351	Positive charged surface: 322.052	Negative charged surface: 214.299	Volume: 276.125
Hydrophobic surface: 486.535	Hydrophilic surface: 49.816

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.