MMsINC Database Search


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MMsINC code: MMs02783395

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1cc(ccc1OC)C)c1cc(C)c(cc1)C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.525 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -4.76701	SlogP: 3.02516	Reactive groups: 0

Topological Properties
Globularity: 0.16845	Sterimol/B1: 2.69277	Sterimol/B2: 3.52485	Sterimol/B3: 7.08706
Sterimol/B4: 8.33564	Sterimol/L: 15.0683

Surface and Volume Properties
Accessible surface: 633.929	Positive charged surface: 399.443	Negative charged surface: 234.486	Volume: 355.875
Hydrophobic surface: 533.233	Hydrophilic surface: 100.696

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.