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MMsINC code: MMs03484106

Type: Neutral
Formula: C₁₆H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(CCN1CCCCC1)C)c1cc2OCCOc2cc1

InChI:

InChI=1/C16H24N2O4S/c1-17(9-10-18-7-3-2-4-8-18)23(19,20)14-5-6-15-16(13-14)22-12-11-21-15/h5-6,13H,2-4,7-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.2925 kcal/mol

Physical Properties
Molecular Weight: 340.444 g/mol	logS: -2.20008	SlogP: 1.5642	Reactive groups: 0

Topological Properties
Globularity: 0.0698724	Sterimol/B1: 2.3875	Sterimol/B2: 2.89427	Sterimol/B3: 5.15973
Sterimol/B4: 6.7773	Sterimol/L: 17.2197

Surface and Volume Properties
Accessible surface: 580.704	Positive charged surface: 442.549	Negative charged surface: 138.155	Volume: 316
Hydrophobic surface: 508.276	Hydrophilic surface: 72.428

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs03484107
PUBCHEM-ZINC06001448