MMsINC Database Search


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MMsINC code: MMs01228282

Type: Neutral
Formula: C₁₅H₂₂N₂O₄S

SMILES:

S(=O)(=O)(N(CC)CC)c1ccc(cc1)C(=O)N1CCOCC1

InChI:

InChI=1/C15H22N2O4S/c1-3-17(4-2)22(19,20)14-7-5-13(6-8-14)15(18)16-9-11-21-12-10-16/h5-8H,3-4,9-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.6533 kcal/mol

Physical Properties
Molecular Weight: 326.417 g/mol	logS: -2.28448	SlogP: 1.1895	Reactive groups: 0

Topological Properties
Globularity: 0.133719	Sterimol/B1: 2.47644	Sterimol/B2: 3.96171	Sterimol/B3: 4.76913
Sterimol/B4: 6.48497	Sterimol/L: 15.3444

Surface and Volume Properties
Accessible surface: 549.459	Positive charged surface: 375.162	Negative charged surface: 174.297	Volume: 303
Hydrophobic surface: 408.565	Hydrophilic surface: 140.894

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.