MMsINC Database Search


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MMsINC code: MMs02668532

Type: Neutral
Formula: C₂₀H₁₆O₃S

SMILES:

S(c1ccc(OC(=O)c2ccccc2C)cc1)c1ccc(O)cc1

InChI:

InChI=1/C20H16O3S/c1-14-4-2-3-5-19(14)20(22)23-16-8-12-18(13-9-16)24-17-10-6-15(21)7-11-17/h2-13,21H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.077 kcal/mol

Physical Properties
Molecular Weight: 336.411 g/mol	logS: -6.45617	SlogP: 5.07102	Reactive groups: 0

Topological Properties
Globularity: 0.0784916	Sterimol/B1: 2.24512	Sterimol/B2: 2.43802	Sterimol/B3: 5.54085
Sterimol/B4: 6.49277	Sterimol/L: 17.9864

Surface and Volume Properties
Accessible surface: 595.814	Positive charged surface: 324.19	Negative charged surface: 271.624	Volume: 318.375
Hydrophobic surface: 490.716	Hydrophilic surface: 105.098

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.