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MMsINC code: MMs02408448

Type: Neutral
Formula: C₂₀H₁₄N₂O₄S

SMILES:

S(O)(=O)(=O)c1c2c(cccc2N=Nc2c3c(ccc2O)cccc3)ccc1

InChI:

InChI=1/C20H14N2O4S/c23-17-12-11-13-5-1-2-8-15(13)20(17)22-21-16-9-3-6-14-7-4-10-18(19(14)16)27(24,25)26/h1-12,23H,(H,24,25,26)/b22-21+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.273 kcal/mol

Physical Properties
Molecular Weight: 378.408 g/mol	logS: -6.72156	SlogP: 4.795	Reactive groups: 0

Topological Properties
Globularity: 0.0724604	Sterimol/B1: 2.28808	Sterimol/B2: 4.00333	Sterimol/B3: 4.72124
Sterimol/B4: 6.6683	Sterimol/L: 15.6953

Surface and Volume Properties
Accessible surface: 574.048	Positive charged surface: 289.396	Negative charged surface: 261.829	Volume: 325.25
Hydrophobic surface: 468.51	Hydrophilic surface: 105.538

Pharmacophoric Properties
Hydrogen bond donors: 4	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02408449
NCID-ZINC04804156