MMsINC Database Search


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MMsINC code: MMs01668836

Type: Neutral
Formula: C₁₈H₂₆N₂O₅S

SMILES:

S(=O)(=O)(N1CCOCC1)c1cc(C(=O)NC2CCCCC2)c(OC)cc1

InChI:

InChI=1/C18H26N2O5S/c1-24-17-8-7-15(26(22,23)20-9-11-25-12-10-20)13-16(17)18(21)19-14-5-3-2-4-6-14/h7-8,13-14H,2-6,9-12H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.3155 kcal/mol

Physical Properties
Molecular Weight: 382.481 g/mol	logS: -3.25757	SlogP: 1.7786	Reactive groups: 0

Topological Properties
Globularity: 0.0577777	Sterimol/B1: 2.1447	Sterimol/B2: 2.4735	Sterimol/B3: 4.85315
Sterimol/B4: 10.7526	Sterimol/L: 16.8154

Surface and Volume Properties
Accessible surface: 633.721	Positive charged surface: 479.939	Negative charged surface: 153.782	Volume: 350.25
Hydrophobic surface: 535.215	Hydrophilic surface: 98.506

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: no related molecules available.