MMsINC Database Search


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MMsINC code: MMs01244681

Type: Neutral
Formula: C₁₅H₂₃NO₂S

SMILES:

S(=O)(=O)(N(C)C1CCCCC1)c1cc(C)c(cc1)C

InChI:

InChI=1/C15H23NO2S/c1-12-9-10-15(11-13(12)2)19(17,18)16(3)14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.9866 kcal/mol

Physical Properties
Molecular Weight: 281.42 g/mol	logS: -3.71742	SlogP: 3.25664	Reactive groups: 0

Topological Properties
Globularity: 0.10826	Sterimol/B1: 2.53023	Sterimol/B2: 3.05461	Sterimol/B3: 4.67093
Sterimol/B4: 6.33531	Sterimol/L: 14.1307

Surface and Volume Properties
Accessible surface: 508.841	Positive charged surface: 335.348	Negative charged surface: 173.493	Volume: 279.875
Hydrophobic surface: 453.525	Hydrophilic surface: 55.316

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.