MMsINC Database Search


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MMsINC code: MMs03369092

Type: Neutral
Formula: C₁₅H₁₈N₂O₄S₂

SMILES:

S(=O)(=O)(NCCNS(=O)(=O)c1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C15H18N2O4S2/c1-13-7-9-15(10-8-13)23(20,21)17-12-11-16-22(18,19)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.0655 kcal/mol

Physical Properties
Molecular Weight: 354.451 g/mol	logS: -3.3291	SlogP: 1.25182	Reactive groups: 0

Topological Properties
Globularity: 0.114406	Sterimol/B1: 2.51849	Sterimol/B2: 4.32701	Sterimol/B3: 4.54949
Sterimol/B4: 7.37678	Sterimol/L: 16.1764

Surface and Volume Properties
Accessible surface: 590.645	Positive charged surface: 302.859	Negative charged surface: 287.786	Volume: 311.375
Hydrophobic surface: 425.429	Hydrophilic surface: 165.216

Pharmacophoric Properties
Hydrogen bond donors: 2	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.