MMsINC Database Search


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MMsINC code: MMs01686947

Type: Neutral
Formula: C₁₇H₂₀N₂O₄S₂

SMILES:

S(=O)(=O)(N1CCCC1)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1

InChI:

InChI=1/C17H20N2O4S2/c1-14-6-2-3-7-17(14)18-24(20,21)15-8-10-16(11-9-15)25(22,23)19-12-4-5-13-19/h2-3,6-11,18H,4-5,12-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.4309 kcal/mol

Physical Properties
Molecular Weight: 380.489 g/mol	logS: -3.67313	SlogP: 2.58032	Reactive groups: 0

Topological Properties
Globularity: 0.111789	Sterimol/B1: 3.13728	Sterimol/B2: 3.15532	Sterimol/B3: 6.09875
Sterimol/B4: 6.23665	Sterimol/L: 15.4458

Surface and Volume Properties
Accessible surface: 590.392	Positive charged surface: 335.795	Negative charged surface: 254.597	Volume: 332.125
Hydrophobic surface: 457.95	Hydrophilic surface: 132.442

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.