MMsINC Database Search


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MMsINC code: MMs02658760

Type: Neutral
Formula: C₁₄H₁₀O₂S

SMILES:

S1(=O)(=O)C=C(c2c1cccc2)c1ccccc1

InChI:

InChI=1/C14H10O2S/c15-17(16)10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4758 kcal/mol

Physical Properties
Molecular Weight: 242.298 g/mol	logS: -3.69803	SlogP: 2.68039	Reactive groups: 0

Topological Properties
Globularity: 0.101863	Sterimol/B1: 3.22497	Sterimol/B2: 3.52931	Sterimol/B3: 4.13043
Sterimol/B4: 5.37881	Sterimol/L: 12.4935

Surface and Volume Properties
Accessible surface: 434.299	Positive charged surface: 198.289	Negative charged surface: 236.011	Volume: 219.625
Hydrophobic surface: 357.741	Hydrophilic surface: 76.558

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.