MMsINC Database Search


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MMsINC code: MMs02972644

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1cc(ccc1OC)C)c1ccccc1CC)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.004 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -4.49486	SlogP: 2.97069	Reactive groups: 0

Topological Properties
Globularity: 0.177227	Sterimol/B1: 4.06175	Sterimol/B2: 4.49742	Sterimol/B3: 6.22582
Sterimol/B4: 6.4411	Sterimol/L: 15.5153

Surface and Volume Properties
Accessible surface: 631.558	Positive charged surface: 398.706	Negative charged surface: 232.852	Volume: 352.25
Hydrophobic surface: 529.13	Hydrophilic surface: 102.428

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.