MMsINC Database Search


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MMsINC code: MMs01548657

Type: Neutral
Formula: C₁₅H₁₀O₄S

SMILES:

s1cccc1C(=O)COc1cc2OC(=O)C=Cc2cc1

InChI:

InChI=1/C15H10O4S/c16-12(14-2-1-7-20-14)9-18-11-5-3-10-4-6-15(17)19-13(10)8-11/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.3325 kcal/mol

Physical Properties
Molecular Weight: 286.307 g/mol	logS: -4.7273	SlogP: 2.942	Reactive groups: 0

Topological Properties
Globularity: 0.00290983	Sterimol/B1: 2.37395	Sterimol/B2: 2.37616	Sterimol/B3: 3.93215
Sterimol/B4: 3.97724	Sterimol/L: 17.0946

Surface and Volume Properties
Accessible surface: 497.208	Positive charged surface: 226.014	Negative charged surface: 271.195	Volume: 251.375
Hydrophobic surface: 386.857	Hydrophilic surface: 110.351

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.