MMsINC Database Search


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MMsINC code: MMs02308912

Type: Neutral
Formula: C₁₃H₁₁NO₄S

SMILES:

S(O)(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1

InChI:

InChI=1/C13H11NO4S/c15-13(10-4-2-1-3-5-10)14-11-6-8-12(9-7-11)19(16,17)18/h1-9H,(H,14,15)(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.2204 kcal/mol

Physical Properties
Molecular Weight: 277.3 g/mol	logS: -3.40494	SlogP: 1.6199	Reactive groups: 0

Topological Properties
Globularity: 0.0176899	Sterimol/B1: 2.78673	Sterimol/B2: 3.08263	Sterimol/B3: 3.64944
Sterimol/B4: 3.94155	Sterimol/L: 16.3381

Surface and Volume Properties
Accessible surface: 474.901	Positive charged surface: 219.631	Negative charged surface: 255.27	Volume: 233.625
Hydrophobic surface: 319.018	Hydrophilic surface: 155.883

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

MMs02308913
NCID-ZINC01672832