MMsINC Database Search


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MMsINC code: MMs01423268

Type: Neutral
Formula: C₁₄H₁₆N₂O₄S₂

SMILES:

S(=O)(=O)(NCc1ccc(S(=O)(=O)N)cc1)c1ccc(cc1)C

InChI:

InChI=1/C14H16N2O4S2/c1-11-2-6-14(7-3-11)22(19,20)16-10-12-4-8-13(9-5-12)21(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.633764 kcal/mol

Physical Properties
Molecular Weight: 340.424 g/mol	logS: -3.69129	SlogP: 1.38732	Reactive groups: 0

Topological Properties
Globularity: 0.0673041	Sterimol/B1: 2.12979	Sterimol/B2: 3.39631	Sterimol/B3: 4.0875
Sterimol/B4: 6.65955	Sterimol/L: 17.3229

Surface and Volume Properties
Accessible surface: 563.651	Positive charged surface: 282.448	Negative charged surface: 281.203	Volume: 287.875
Hydrophobic surface: 348.469	Hydrophilic surface: 215.182

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01423269
ENAMINE-ZINC03406753