MMsINC Database Search


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MMsINC code: MMs02715745

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1ccccc1C(C)C)c1ccccc1OC)C

InChI:

InChI=1/C19H24N2O4S/c1-14(2)15-9-5-6-10-16(15)20-19(22)13-21(26(4,23)24)17-11-7-8-12-18(17)25-3/h5-12,14H,13H2,1-4H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.085 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -4.53616	SlogP: 3.2233	Reactive groups: 0

Topological Properties
Globularity: 0.162151	Sterimol/B1: 2.46022	Sterimol/B2: 3.51461	Sterimol/B3: 6.49055
Sterimol/B4: 7.07285	Sterimol/L: 14.6133

Surface and Volume Properties
Accessible surface: 610.79	Positive charged surface: 376.024	Negative charged surface: 234.766	Volume: 352.75
Hydrophobic surface: 490.046	Hydrophilic surface: 120.744

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.