MMsINC Database Search


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MMsINC code: MMs03262999

Type: Neutral
Formula: C₁₄H₁₄OS

SMILES:

S(=O)(Cc1cc(ccc1)C)c1ccccc1

InChI:

InChI=1/C14H14OS/c1-12-6-5-7-13(10-12)11-16(15)14-8-3-2-4-9-14/h2-10H,11H2,1H3/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.415 kcal/mol

Physical Properties
Molecular Weight: 230.331 g/mol	logS: -3.91687	SlogP: 3.56922	Reactive groups: 0

Topological Properties
Globularity: 0.0256221	Sterimol/B1: 2.33905	Sterimol/B2: 2.67407	Sterimol/B3: 3.31345
Sterimol/B4: 6.05752	Sterimol/L: 14.579

Surface and Volume Properties
Accessible surface: 466.367	Positive charged surface: 267.289	Negative charged surface: 199.079	Volume: 231.375
Hydrophobic surface: 427.639	Hydrophilic surface: 38.728

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.