MMsINC Database Search


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MMsINC code: MMs02297390

Type: Neutral
Formula: C₁₄H₁₄O₂S

SMILES:

S(=O)(=O)(C1C=CC=CC=C1)c1ccc(cc1)C

InChI:

InChI=1/C14H14O2S/c1-12-8-10-14(11-9-12)17(15,16)13-6-4-2-3-5-7-13/h2-11,13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.629 kcal/mol

Physical Properties
Molecular Weight: 246.33 g/mol	logS: -3.66579	SlogP: 2.81952	Reactive groups: 0

Topological Properties
Globularity: 0.0942876	Sterimol/B1: 3.49637	Sterimol/B2: 3.65308	Sterimol/B3: 3.85718
Sterimol/B4: 4.14811	Sterimol/L: 13.3454

Surface and Volume Properties
Accessible surface: 443.191	Positive charged surface: 259.924	Negative charged surface: 183.267	Volume: 235.375
Hydrophobic surface: 388.115	Hydrophilic surface: 55.076

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.