MMsINC Database Search


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MMsINC code: MMs01259730

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(CC)CC)c1cc(ccc1)C(=O)NCc1ccccc1OC

InChI:

InChI=1/C19H24N2O4S/c1-4-21(5-2)26(23,24)17-11-8-10-15(13-17)19(22)20-14-16-9-6-7-12-18(16)25-3/h6-13H,4-5,14H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.3852 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -3.91727	SlogP: 2.9221	Reactive groups: 0

Topological Properties
Globularity: 0.0648048	Sterimol/B1: 2.46518	Sterimol/B2: 3.86298	Sterimol/B3: 4.15547
Sterimol/B4: 6.69345	Sterimol/L: 18.3992

Surface and Volume Properties
Accessible surface: 645.121	Positive charged surface: 410.911	Negative charged surface: 234.21	Volume: 358
Hydrophobic surface: 506.189	Hydrophilic surface: 138.932

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.