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MMsINC code: MMs00445116

Type: Neutral
Formula: C₁₅H₁₆N₂O₅S₂

SMILES:

s1cc(S(=O)(=O)N(C)c2ccccc2C(O)=O)cc1C(=O)NCC

InChI:

InChI=1/C15H16N2O5S2/c1-3-16-14(18)13-8-10(9-23-13)24(21,22)17(2)12-7-5-4-6-11(12)15(19)20/h4-9H,3H2,1-2H3,(H,16,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.5961 kcal/mol

Physical Properties
Molecular Weight: 368.434 g/mol	logS: -3.37171	SlogP: 2.0211	Reactive groups: 0

Topological Properties
Globularity: 0.0629725	Sterimol/B1: 3.72772	Sterimol/B2: 3.98977	Sterimol/B3: 5.16173
Sterimol/B4: 5.41502	Sterimol/L: 17.1155

Surface and Volume Properties
Accessible surface: 571.955	Positive charged surface: 324.201	Negative charged surface: 247.754	Volume: 310.25
Hydrophobic surface: 384.252	Hydrophilic surface: 187.703

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs00445117
ASINEX-ZINC06681647