MMsINC Database Search


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MMsINC code: MMs03313938

Type: Neutral
Formula: C₁₆H₁₆O₄S₂

SMILES:

S1(=O)(=O)Cc2ccc(CS(=O)(=O)Cc3ccc(C1)cc3)cc2

InChI:

InChI=1/C16H16O4S2/c17-21(18)9-13-1-2-14(4-3-13)10-22(19,20)12-16-7-5-15(11-21)6-8-16/h1-8H,9-12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=163.91 kcal/mol

Physical Properties
Molecular Weight: 336.432 g/mol	logS: -3.44464	SlogP: 3.2956	Reactive groups: 0

Topological Properties
Globularity: 0.236756	Sterimol/B1: 2.13973	Sterimol/B2: 3.47692	Sterimol/B3: 4.205
Sterimol/B4: 6.28736	Sterimol/L: 13.5888

Surface and Volume Properties
Accessible surface: 441.312	Positive charged surface: 252.509	Negative charged surface: 188.803	Volume: 277.125
Hydrophobic surface: 321.836	Hydrophilic surface: 119.476

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.