MMsINC Database Search


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MMsINC code: MMs02352350

Type: Neutral
Formula: C₁₃H₉NO₃S

SMILES:

S1(=O)(=O)N(C(=O)c2c1cccc2)c1ccccc1

InChI:

InChI=1/C13H9NO3S/c15-13-11-8-4-5-9-12(11)18(16,17)14(13)10-6-2-1-3-7-10/h1-9H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.2751 kcal/mol

Physical Properties
Molecular Weight: 259.285 g/mol	logS: -3.65033	SlogP: 2.0357	Reactive groups: 0

Topological Properties
Globularity: 0.0198928	Sterimol/B1: 2.66572	Sterimol/B2: 3.42925	Sterimol/B3: 3.83373
Sterimol/B4: 4.2643	Sterimol/L: 14.1155

Surface and Volume Properties
Accessible surface: 431.211	Positive charged surface: 191.322	Negative charged surface: 239.89	Volume: 220.25
Hydrophobic surface: 336.646	Hydrophilic surface: 94.565

Pharmacophoric Properties
Hydrogen bond donors: 0	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.