MMsINC Database Search


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MMsINC code: MMs01227178

Type: Neutral
Formula: C₁₅H₁₅NO₂S

SMILES:

S(=O)(=O)(NCc1ccccc1)\C=C\c1ccccc1

InChI:

InChI=1/C15H15NO2S/c17-19(18,12-11-14-7-3-1-4-8-14)16-13-15-9-5-2-6-10-15/h1-12,16H,13H2/b12-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.3022 kcal/mol

Physical Properties
Molecular Weight: 273.356 g/mol	logS: -3.20737	SlogP: 3.0433	Reactive groups: 0

Topological Properties
Globularity: 0.0628456	Sterimol/B1: 2.87411	Sterimol/B2: 3.07785	Sterimol/B3: 3.95023
Sterimol/B4: 5.83982	Sterimol/L: 16.2403

Surface and Volume Properties
Accessible surface: 524.109	Positive charged surface: 258.859	Negative charged surface: 265.251	Volume: 260.5
Hydrophobic surface: 434.551	Hydrophilic surface: 89.558

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.