MMsINC Database Search


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MMsINC code: MMs00294122

Type: Neutral
Formula: C₁₅H₁₅NO₂S

SMILES:

S(=O)(=O)(N1Cc2c(C1)cccc2)c1ccc(cc1)C

InChI:

InChI=1/C15H15NO2S/c1-12-6-8-15(9-7-12)19(17,18)16-10-13-4-2-3-5-14(13)11-16/h2-9H,10-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.5498 kcal/mol

Physical Properties
Molecular Weight: 273.356 g/mol	logS: -3.66266	SlogP: 3.23232	Reactive groups: 0

Topological Properties
Globularity: 0.14858	Sterimol/B1: 2.12223	Sterimol/B2: 3.93715	Sterimol/B3: 3.95496
Sterimol/B4: 6.29864	Sterimol/L: 14.6474

Surface and Volume Properties
Accessible surface: 501.697	Positive charged surface: 271.258	Negative charged surface: 230.439	Volume: 253.375
Hydrophobic surface: 433.923	Hydrophilic surface: 67.774

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.