MMsINC Database Search


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MMsINC code: MMs02315466

Type: Neutral
Formula: C₂₀H₁₈O₂S₂

SMILES:

S(SCc1ccccc1)(=O)(=O)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H18O2S2/c21-24(22,23-16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.3188 kcal/mol

Physical Properties
Molecular Weight: 354.494 g/mol	logS: -6.10921	SlogP: 5.4011	Reactive groups: 0

Topological Properties
Globularity: 0.145301	Sterimol/B1: 3.39845	Sterimol/B2: 4.24652	Sterimol/B3: 4.65457
Sterimol/B4: 7.04418	Sterimol/L: 13.6463

Surface and Volume Properties
Accessible surface: 588.496	Positive charged surface: 313.655	Negative charged surface: 274.841	Volume: 330.125
Hydrophobic surface: 527.573	Hydrophilic surface: 60.923

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.