MMsINC Database Search


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MMsINC code: MMs03155630

Type: Neutral
Formula: C₁₅H₂₄N₂O₄S

SMILES:

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

InChI:

InChI=1/C15H24N2O4S/c1-11(2)16-14(18)10-21-12-6-8-13(9-7-12)22(19,20)17-15(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)=56.7051 kcal/mol

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

Topological Properties
Globularity: 0.0594138	Sterimol/B1: 2.78967	Sterimol/B2: 4.27134	Sterimol/B3: 4.62385
Sterimol/B4: 4.91003	Sterimol/L: 18.1378

Surface and Volume Properties
Accessible surface: 585.087	Positive charged surface: 371.287	Negative charged surface: 213.8	Volume: 310.125
Hydrophobic surface: 373.977	Hydrophilic surface: 211.11

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.