MMsINC Database Search


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MMsINC code: MMs02521246

Type: Neutral
Formula: C₁₄H₁₆N₂O₄S₂

SMILES:

S(=O)(=O)(NCCc1ccccc1)c1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C14H16N2O4S2/c15-21(17,18)13-6-8-14(9-7-13)22(19,20)16-11-10-12-4-2-1-3-5-12/h1-9,16H,10-11H2,(H2,15,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=8.4459 kcal/mol

Physical Properties
Molecular Weight: 340.424 g/mol	logS: -3.27884	SlogP: 0.85497	Reactive groups: 0

Topological Properties
Globularity: 0.0840898	Sterimol/B1: 2.69287	Sterimol/B2: 3.59095	Sterimol/B3: 3.73901
Sterimol/B4: 7.89257	Sterimol/L: 15.6203

Surface and Volume Properties
Accessible surface: 560.61	Positive charged surface: 277.137	Negative charged surface: 283.474	Volume: 288.625
Hydrophobic surface: 347.078	Hydrophilic surface: 213.532

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

MMs02521247
NIH-ZINC00315061