MMsINC Database Search


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MMsINC code: MMs02647894

Type: Neutral
Formula: C₁₅H₁₅NO₂S

SMILES:

S1(=O)(=O)N(c2c(-c3c1cccc3)c(ccc2C)C)C

InChI:

InChI=1/C15H15NO2S/c1-10-8-9-11(2)15-14(10)12-6-4-5-7-13(12)19(17,18)16(15)3/h4-9H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.5913 kcal/mol

Physical Properties
Molecular Weight: 273.356 g/mol	logS: -4.53757	SlogP: 3.10894	Reactive groups: 0

Topological Properties
Globularity: 0.101429	Sterimol/B1: 2.39753	Sterimol/B2: 3.64049	Sterimol/B3: 3.81389
Sterimol/B4: 8.3085	Sterimol/L: 12.3513

Surface and Volume Properties
Accessible surface: 452.338	Positive charged surface: 251.695	Negative charged surface: 196.418	Volume: 251.25
Hydrophobic surface: 389.796	Hydrophilic surface: 62.542

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.