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MMsINC code: MMs01248206

Type: Neutral
Formula: C₁₅H₁₄N₆O₃S₂

SMILES:

S(CC(=O)Nc1ccc(S(=O)(=O)N)cc1)c1nnnn1-c1ccccc1

InChI:

InChI=1/C15H14N6O3S2/c16-26(23,24)13-8-6-11(7-9-13)17-14(22)10-25-15-18-19-20-21(15)12-4-2-1-3-5-12/h1-9H,10H2,(H,17,22)(H2,16,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.9354 kcal/mol

Physical Properties
Molecular Weight: 390.448 g/mol	logS: -4.89951	SlogP: 1.0405	Reactive groups: 0

Topological Properties
Globularity: 0.0208447	Sterimol/B1: 2.46629	Sterimol/B2: 3.00957	Sterimol/B3: 3.25448
Sterimol/B4: 7.73129	Sterimol/L: 19.475

Surface and Volume Properties
Accessible surface: 621.312	Positive charged surface: 285.658	Negative charged surface: 301.783	Volume: 320.375
Hydrophobic surface: 376.988	Hydrophilic surface: 244.324

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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

MMs01248207
ENAMINE-ZINC02151766