MMsINC Database Search


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MMsINC code: MMs00378313

Type: Neutral
Formula: C₁₇H₂₀N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCC1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=16.3746 kcal/mol

Physical Properties
Molecular Weight: 380.489 g/mol	logS: -3.4567	SlogP: 2.216	Reactive groups: 0

Topological Properties
Globularity: 0.0857773	Sterimol/B1: 3.47358	Sterimol/B2: 3.78505	Sterimol/B3: 5.8204
Sterimol/B4: 6.36509	Sterimol/L: 17.9934

Surface and Volume Properties
Accessible surface: 620.767	Positive charged surface: 343.689	Negative charged surface: 277.078	Volume: 334.75
Hydrophobic surface: 480.832	Hydrophilic surface: 139.935

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.