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MMsINC code: MMs01589595

Type: Neutral
Formula: C₁₅H₂₄N₂O₄S

SMILES:

S(=O)(=O)(NCC(N1CCOCC1)(C)C)c1ccc(OC)cc1

InChI:

InChI=1/C15H24N2O4S/c1-15(2,17-8-10-21-11-9-17)12-16-22(18,19)14-6-4-13(20-3)5-7-14/h4-7,16H,8-12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.1843 kcal/mol

Physical Properties
Molecular Weight: 328.433 g/mol	logS: -2.11703	SlogP: 1.0843	Reactive groups: 0

Topological Properties
Globularity: 0.16454	Sterimol/B1: 1.969	Sterimol/B2: 4.25705	Sterimol/B3: 5.84604
Sterimol/B4: 6.958	Sterimol/L: 15.0401

Surface and Volume Properties
Accessible surface: 551.436	Positive charged surface: 385.586	Negative charged surface: 165.85	Volume: 307.75
Hydrophobic surface: 422.953	Hydrophilic surface: 128.483

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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

MMs01589596
ENAMINE-ZINC05120430