MMsINC Database Search


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MMsINC code: MMs02332747

Type: Neutral
Formula: C₂₄H₂₆O₄S₂

SMILES:

S(=O)(=O)(Cc1ccccc1)C(S(=O)(=O)Cc1ccccc1)CCCc1ccccc1

InChI:

InChI=1/C24H26O4S2/c25-29(26,19-22-13-6-2-7-14-22)24(18-10-17-21-11-4-1-5-12-21)30(27,28)20-23-15-8-3-9-16-23/h1-9,11-16,24H,10,17-20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3353 kcal/mol

Physical Properties
Molecular Weight: 442.6 g/mol	logS: -5.77577	SlogP: 5.09817	Reactive groups: 0

Topological Properties
Globularity: 0.0616042	Sterimol/B1: 2.88258	Sterimol/B2: 4.19887	Sterimol/B3: 6.23353
Sterimol/B4: 8.36779	Sterimol/L: 18.7376

Surface and Volume Properties
Accessible surface: 713.076	Positive charged surface: 379.506	Negative charged surface: 333.57	Volume: 411.5
Hydrophobic surface: 637.822	Hydrophilic surface: 75.254

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.