MMsINC Database Search


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MMsINC code: MMs03965004

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(CCc1ccccc1)CC(=O)Nc1cc(ccc1OC)C)C

InChI:

InChI=1/C19H24N2O4S/c1-15-9-10-18(25-2)17(13-15)20-19(22)14-21(26(3,23)24)12-11-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.3809 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -3.82468	SlogP: 2.44639	Reactive groups: 0

Topological Properties
Globularity: 0.133669	Sterimol/B1: 2.39422	Sterimol/B2: 3.19409	Sterimol/B3: 5.87465
Sterimol/B4: 8.93403	Sterimol/L: 16.853

Surface and Volume Properties
Accessible surface: 654.61	Positive charged surface: 414.827	Negative charged surface: 239.784	Volume: 358.75
Hydrophobic surface: 563.312	Hydrophilic surface: 91.298

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.