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MMsINC code: MMs01644227

Type: Neutral
Formula: C₁₄H₁₅N₃O₄S₃

SMILES:

s1cccc1S(=O)(=O)Nc1cc(S(=O)(=O)NC2=NCCC2)ccc1

InChI:

InChI=1/C14H15N3O4S3/c18-23(19,17-13-6-2-8-15-13)12-5-1-4-11(10-12)16-24(20,21)14-7-3-9-22-14/h1,3-5,7,9-10,16H,2,6,8H2,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.2242 kcal/mol

Physical Properties
Molecular Weight: 385.489 g/mol	logS: -3.76421	SlogP: 2.0195	Reactive groups: 0

Topological Properties
Globularity: 0.202181	Sterimol/B1: 2.22405	Sterimol/B2: 2.51873	Sterimol/B3: 6.51521
Sterimol/B4: 7.89868	Sterimol/L: 14.1341

Surface and Volume Properties
Accessible surface: 552.118	Positive charged surface: 292.811	Negative charged surface: 259.307	Volume: 312.625
Hydrophobic surface: 380.195	Hydrophilic surface: 171.923

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.