MMsINC Database Search


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MMsINC code: MMs02427364

Type: Neutral
Formula: C₁₇H₁₅N₃O₄S₂

SMILES:

S(=O)(=O)(Nc1ccc(nc1)NS(=O)(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C17H15N3O4S2/c21-25(22,15-7-3-1-4-8-15)19-14-11-12-17(18-13-14)20-26(23,24)16-9-5-2-6-10-16/h1-13,19H,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.2747 kcal/mol

Physical Properties
Molecular Weight: 389.456 g/mol	logS: -3.76168	SlogP: 2.6832	Reactive groups: 0

Topological Properties
Globularity: 0.203252	Sterimol/B1: 2.61061	Sterimol/B2: 2.83886	Sterimol/B3: 5.95408
Sterimol/B4: 6.48667	Sterimol/L: 14.0379

Surface and Volume Properties
Accessible surface: 584.76	Positive charged surface: 293.182	Negative charged surface: 291.578	Volume: 325.25
Hydrophobic surface: 410.568	Hydrophilic surface: 174.192

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.