MMsINC Database Search


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MMsINC code: MMs02246744

Type: Neutral
Formula: C₁₆H₁₄O₂S

SMILES:

S(=O)(=O)(\C=C\c1ccccc1)\C=C\c1ccccc1

InChI:

InChI=1/C16H14O2S/c17-19(18,13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.8909 kcal/mol

Physical Properties
Molecular Weight: 270.352 g/mol	logS: -3.78265	SlogP: 3.743	Reactive groups: 0

Topological Properties
Globularity: 0.076332	Sterimol/B1: 2.12891	Sterimol/B2: 3.19486	Sterimol/B3: 3.99798
Sterimol/B4: 6.05456	Sterimol/L: 16.2212

Surface and Volume Properties
Accessible surface: 523.805	Positive charged surface: 239.561	Negative charged surface: 284.244	Volume: 263.25
Hydrophobic surface: 459.694	Hydrophilic surface: 64.111

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.