MMsINC Database Search


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MMsINC code: MMs02213121

Type: Neutral
Formula: C₁₄H₁₅NO₂S

SMILES:

S(=O)(=O)(NC(c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C14H15NO2S/c1-18(16,17)15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14-15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.6641 kcal/mol

Physical Properties
Molecular Weight: 261.345 g/mol	logS: -2.9348	SlogP: 2.4207	Reactive groups: 0

Topological Properties
Globularity: 0.345797	Sterimol/B1: 2.52558	Sterimol/B2: 3.29912	Sterimol/B3: 4.26542
Sterimol/B4: 8.04034	Sterimol/L: 11.6908

Surface and Volume Properties
Accessible surface: 478.474	Positive charged surface: 243.462	Negative charged surface: 235.013	Volume: 246.375
Hydrophobic surface: 404.007	Hydrophilic surface: 74.467

Pharmacophoric Properties
Hydrogen bond donors: 1	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.