MMsINC Database Search


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MMsINC code: MMs00146570

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1cc(cc(c1)C)C)c1cc(ccc1OC)C)C

InChI:

InChI=1/C19H24N2O4S/c1-13-6-7-18(25-4)17(11-13)21(26(5,23)24)12-19(22)20-16-9-14(2)8-15(3)10-16/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)=116.225 kcal/mol

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

Topological Properties
Globularity: 0.205989	Sterimol/B1: 2.8174	Sterimol/B2: 3.5429	Sterimol/B3: 6.46903
Sterimol/B4: 6.76238	Sterimol/L: 15.5548

Surface and Volume Properties
Accessible surface: 638.063	Positive charged surface: 405.925	Negative charged surface: 232.138	Volume: 356.625
Hydrophobic surface: 556.438	Hydrophilic surface: 81.625

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.