MMsINC Database Search


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MMsINC code: MMs00007534

Type: Neutral
Formula: C₁₄H₁₅NO₄S₂

SMILES:

S(=O)(=O)(NS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C14H15NO4S2/c1-11-3-7-13(8-4-11)20(16,17)15-21(18,19)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-13.4596 kcal/mol

Physical Properties
Molecular Weight: 325.409 g/mol	logS: -4.50029	SlogP: 1.97064	Reactive groups: 0

Topological Properties
Globularity: 0.0575809	Sterimol/B1: 2.66675	Sterimol/B2: 3.57482	Sterimol/B3: 4.60888
Sterimol/B4: 5.29171	Sterimol/L: 16.2229

Surface and Volume Properties
Accessible surface: 521.209	Positive charged surface: 256.107	Negative charged surface: 265.103	Volume: 279.375
Hydrophobic surface: 398.958	Hydrophilic surface: 122.251

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.