MMsINC Database Search


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MMsINC code: MMs02868441

Type: Neutral
Formula: C₁₄H₁₄O₄S

SMILES:

S(Oc1ccccc1OC)(=O)(=O)c1ccccc1C

InChI:

InChI=1/C14H14O4S/c1-11-7-3-6-10-14(11)19(15,16)18-13-9-5-4-8-12(13)17-2/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0679 kcal/mol

Physical Properties
Molecular Weight: 278.328 g/mol	logS: -3.69306	SlogP: 2.77132	Reactive groups: 0

Topological Properties
Globularity: 0.145008	Sterimol/B1: 2.05734	Sterimol/B2: 2.37749	Sterimol/B3: 5.15734
Sterimol/B4: 7.2584	Sterimol/L: 12.8852

Surface and Volume Properties
Accessible surface: 468.372	Positive charged surface: 268.643	Negative charged surface: 199.729	Volume: 248.625
Hydrophobic surface: 407.454	Hydrophilic surface: 60.918

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.