MMsINC Database Search


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MMsINC code: MMs02315465

Type: Neutral
Formula: C₁₉H₁₆O₂S₂

SMILES:

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

InChI:

InChI=1/C19H16O2S2/c20-23(21,22-18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.516 kcal/mol

Physical Properties
Molecular Weight: 340.467 g/mol	logS: -6.16517	SlogP: 4.9936	Reactive groups: 0

Topological Properties
Globularity: 0.171699	Sterimol/B1: 2.38054	Sterimol/B2: 3.76301	Sterimol/B3: 4.76715
Sterimol/B4: 9.00015	Sterimol/L: 14.0831

Surface and Volume Properties
Accessible surface: 544.869	Positive charged surface: 260.568	Negative charged surface: 284.301	Volume: 314.5
Hydrophobic surface: 469.589	Hydrophilic surface: 75.28

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.