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MMsINC code: MMs02685093

Type: Neutral
Formula: C₁₂H₁₇NO₂S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)C1CCCCC1

InChI:

InChI=1/C12H17NO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H2,13,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.84767 kcal/mol

Physical Properties
Molecular Weight: 239.339 g/mol	logS: -4.55947	SlogP: 2.3817	Reactive groups: 0

Topological Properties
Globularity: 0.110034	Sterimol/B1: 2.21023	Sterimol/B2: 2.51583	Sterimol/B3: 4.39811
Sterimol/B4: 4.51537	Sterimol/L: 13.9453

Surface and Volume Properties
Accessible surface: 441.423	Positive charged surface: 281.072	Negative charged surface: 160.351	Volume: 224.625
Hydrophobic surface: 310.374	Hydrophilic surface: 131.049

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

MMs02685094
PUBCHEM-ZINC00446174