MMsINC Database Search


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MMsINC code: MMs02689070

Type: Neutral
Formula: C₁₅H₂₄N₂O₄S

SMILES:

S(=O)(=O)(NC(C)C)c1ccc(OCC(=O)NC(C)(C)C)cc1

InChI:

InChI=1/C15H24N2O4S/c1-11(2)17-22(19,20)13-8-6-12(7-9-13)21-10-14(18)16-15(3,4)5/h6-9,11,17H,10H2,1-5H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.1123 kcal/mol

Physical Properties
Molecular Weight: 328.433 g/mol	logS: -3.08186	SlogP: 1.6668	Reactive groups: 0

Topological Properties
Globularity: 0.0553847	Sterimol/B1: 2.55846	Sterimol/B2: 3.2915	Sterimol/B3: 4.35317
Sterimol/B4: 6.25937	Sterimol/L: 17.6808

Surface and Volume Properties
Accessible surface: 594.842	Positive charged surface: 374.638	Negative charged surface: 220.204	Volume: 310.625
Hydrophobic surface: 384.432	Hydrophilic surface: 210.41

Pharmacophoric Properties
Hydrogen bond donors: 2	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.