MMsINC Database Search


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MMsINC code: MMs00148943

Type: Neutral
Formula: C₁₄H₁₆N₂O₄S₃

SMILES:

s1cccc1S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1

InChI:

InChI=1/C14H16N2O4S3/c17-22(18,14-4-3-11-21-14)15-12-5-7-13(8-6-12)23(19,20)16-9-1-2-10-16/h3-8,11,15H,1-2,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.1679 kcal/mol

Physical Properties
Molecular Weight: 372.49 g/mol	logS: -3.47767	SlogP: 2.3334	Reactive groups: 0

Topological Properties
Globularity: 0.0962198	Sterimol/B1: 2.50446	Sterimol/B2: 3.79041	Sterimol/B3: 4.22179
Sterimol/B4: 6.27771	Sterimol/L: 15.6247

Surface and Volume Properties
Accessible surface: 560.865	Positive charged surface: 294.948	Negative charged surface: 265.917	Volume: 306
Hydrophobic surface: 415.92	Hydrophilic surface: 144.945

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.