MMsINC Database Search


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MMsINC code: MMs01406502

Type: Neutral
Formula: C₁₉H₁₄O₄S

SMILES:

s1cccc1C(=O)COC(=O)c1ccccc1Oc1ccccc1

InChI:

InChI=1/C19H14O4S/c20-16(18-11-6-12-24-18)13-22-19(21)15-9-4-5-10-17(15)23-14-7-2-1-3-8-14/h1-12H,13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.861 kcal/mol

Physical Properties
Molecular Weight: 338.383 g/mol	logS: -5.45524	SlogP: 4.5801	Reactive groups: 0

Topological Properties
Globularity: 0.0285436	Sterimol/B1: 2.51066	Sterimol/B2: 3.45372	Sterimol/B3: 3.67528
Sterimol/B4: 7.87551	Sterimol/L: 18.7576

Surface and Volume Properties
Accessible surface: 590.211	Positive charged surface: 298.05	Negative charged surface: 292.161	Volume: 308.125
Hydrophobic surface: 518.371	Hydrophilic surface: 71.84

Pharmacophoric Properties
Hydrogen bond donors: 0	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.