MMsINC Database Search


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MMsINC code: MMs00187905

Type: Neutral
Formula: C₁₇H₂₀N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1

InChI:

InChI=1/C17H20N2O4S2/c20-24(21,16-7-3-1-4-8-16)18-15-9-11-17(12-10-15)25(22,23)19-13-5-2-6-14-19/h1,3-4,7-12,18H,2,5-6,13-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.8463 kcal/mol

Physical Properties
Molecular Weight: 380.489 g/mol	logS: -3.71443	SlogP: 2.662	Reactive groups: 0

Topological Properties
Globularity: 0.0793422	Sterimol/B1: 2.4851	Sterimol/B2: 3.6062	Sterimol/B3: 4.12145
Sterimol/B4: 6.66007	Sterimol/L: 16.5434

Surface and Volume Properties
Accessible surface: 592.477	Positive charged surface: 346.942	Negative charged surface: 245.535	Volume: 332.75
Hydrophobic surface: 455.503	Hydrophilic surface: 136.974

Pharmacophoric Properties
Hydrogen bond donors: 1	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.