MMsINC Database Search


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MMsINC code: MMs02874035

Type: Neutral
Formula: C₁₉H₂₄O₄S₂

SMILES:

S(=O)(=O)(CCCCCS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C19H24O4S2/c1-16-6-10-18(11-7-16)24(20,21)14-4-3-5-15-25(22,23)19-12-8-17(2)9-13-19/h6-13H,3-5,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.7071 kcal/mol

Physical Properties
Molecular Weight: 380.529 g/mol	logS: -5.01375	SlogP: 3.72134	Reactive groups: 0

Topological Properties
Globularity: 0.0408408	Sterimol/B1: 2.11631	Sterimol/B2: 3.61734	Sterimol/B3: 3.61975
Sterimol/B4: 6.3981	Sterimol/L: 22.0194

Surface and Volume Properties
Accessible surface: 672.175	Positive charged surface: 366.973	Negative charged surface: 305.202	Volume: 356.25
Hydrophobic surface: 557.666	Hydrophilic surface: 114.509

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.