MMsINC Database Search


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MMsINC code: MMs00358903

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(Cc1ccccc1)CC(=O)NCCCOC)c1ccccc1

InChI:

InChI=1/C19H24N2O4S/c1-25-14-8-13-20-19(22)16-21(15-17-9-4-2-5-10-17)26(23,24)18-11-6-3-7-12-18/h2-7,9-12H,8,13-16H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.2692 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -3.58332	SlogP: 2.2966	Reactive groups: 0

Topological Properties
Globularity: 0.0536037	Sterimol/B1: 2.95013	Sterimol/B2: 4.72866	Sterimol/B3: 4.9575
Sterimol/B4: 8.58569	Sterimol/L: 18.3715

Surface and Volume Properties
Accessible surface: 645.388	Positive charged surface: 431.427	Negative charged surface: 213.962	Volume: 359.125
Hydrophobic surface: 553.379	Hydrophilic surface: 92.009

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.