MMsINC Database Search


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MMsINC code: MMs02714013

Type: Neutral
Formula: C₁₇H₁₃NO₃S

SMILES:

S(=O)(=O)(NC(=O)c1ccccc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C17H13NO3S/c19-17(14-7-2-1-3-8-14)18-22(20,21)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.3398 kcal/mol

Physical Properties
Molecular Weight: 311.361 g/mol	logS: -5.45584	SlogP: 2.9585	Reactive groups: 0

Topological Properties
Globularity: 0.108677	Sterimol/B1: 2.76209	Sterimol/B2: 3.37543	Sterimol/B3: 5.51865
Sterimol/B4: 6.65937	Sterimol/L: 15.0354

Surface and Volume Properties
Accessible surface: 525.33	Positive charged surface: 240.358	Negative charged surface: 275.036	Volume: 278.75
Hydrophobic surface: 432.191	Hydrophilic surface: 93.139

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.