MMsINC Database Search


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MMsINC code: MMs01413998

Type: Neutral
Formula: C₁₆H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(CCCOC)CC(=O)NC1CC1)c1ccc(cc1)C

InChI:

InChI=1/C16H24N2O4S/c1-13-4-8-15(9-5-13)23(20,21)18(10-3-11-22-2)12-16(19)17-14-6-7-14/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.3694 kcal/mol

Physical Properties
Molecular Weight: 340.444 g/mol	logS: -2.84172	SlogP: 1.30082	Reactive groups: 0

Topological Properties
Globularity: 0.120162	Sterimol/B1: 2.33671	Sterimol/B2: 2.61462	Sterimol/B3: 6.01875
Sterimol/B4: 10.1926	Sterimol/L: 15.8535

Surface and Volume Properties
Accessible surface: 617.072	Positive charged surface: 425.103	Negative charged surface: 191.969	Volume: 328.125
Hydrophobic surface: 478.21	Hydrophilic surface: 138.862

Pharmacophoric Properties
Hydrogen bond donors: 1	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.