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MMsINC code: MMs03174060

Type: Neutral
Formula: C₁₉H₁₇N₃O₄S₂

SMILES:

S(=O)(=O)(N)c1ccc(N\C(=N\S(=O)(=O)c2ccccc2)\c2ccccc2)cc1

InChI:

InChI=1/C19H17N3O4S2/c20-27(23,24)17-13-11-16(12-14-17)21-19(15-7-3-1-4-8-15)22-28(25,26)18-9-5-2-6-10-18/h1-14H,(H,21,22)(H2,20,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.6585 kcal/mol

Physical Properties
Molecular Weight: 415.494 g/mol	logS: -5.7232	SlogP: 2.5816	Reactive groups: 0

Topological Properties
Globularity: 0.090846	Sterimol/B1: 2.42452	Sterimol/B2: 3.9194	Sterimol/B3: 4.25674
Sterimol/B4: 8.6994	Sterimol/L: 17.6582

Surface and Volume Properties
Accessible surface: 640.131	Positive charged surface: 310.682	Negative charged surface: 329.449	Volume: 351.125
Hydrophobic surface: 443.978	Hydrophilic surface: 196.153

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

MMs03174061
PUBCHEM-ZINC04809776