MMsINC Database Search


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MMsINC code: MMs02269368

Type: Neutral
Formula: C₁₉H₁₆O₃S

SMILES:

S(Oc1ccccc1-c1ccccc1)(=O)(=O)c1ccc(cc1)C

InChI:

InChI=1/C19H16O3S/c1-15-11-13-17(14-12-15)23(20,21)22-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.298 kcal/mol

Physical Properties
Molecular Weight: 324.4 g/mol	logS: -6.38251	SlogP: 4.42972	Reactive groups: 0

Topological Properties
Globularity: 0.264498	Sterimol/B1: 3.08227	Sterimol/B2: 3.1393	Sterimol/B3: 5.62806
Sterimol/B4: 6.4031	Sterimol/L: 12.9438

Surface and Volume Properties
Accessible surface: 470.665	Positive charged surface: 247.734	Negative charged surface: 221.137	Volume: 292
Hydrophobic surface: 404.61	Hydrophilic surface: 66.055

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.