MMsINC Database Search


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MMsINC code: MMs02359747

Type: Neutral
Formula: C₁₃H₁₁NO₂S

SMILES:

S(C(=O)Nc1ccc(O)cc1)c1ccccc1

InChI:

InChI=1/C13H11NO2S/c15-11-8-6-10(7-9-11)14-13(16)17-12-4-2-1-3-5-12/h1-9,15H,(H,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.2827 kcal/mol

Physical Properties
Molecular Weight: 245.302 g/mol	logS: -4.09672	SlogP: 3.7164	Reactive groups: 0

Topological Properties
Globularity: 0.0684176	Sterimol/B1: 3.16274	Sterimol/B2: 3.2457	Sterimol/B3: 4.33472
Sterimol/B4: 4.65364	Sterimol/L: 14.5925

Surface and Volume Properties
Accessible surface: 471.522	Positive charged surface: 251.633	Negative charged surface: 219.889	Volume: 226.5
Hydrophobic surface: 342.626	Hydrophilic surface: 128.896

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.