MMsINC Database Search


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MMsINC code: MMs00179199

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)Nc1ccccc1CC)c1cc(ccc1OC)C)C

InChI:

InChI=1/C19H24N2O4S/c1-5-15-8-6-7-9-16(15)20-19(22)13-21(26(4,23)24)17-12-14(2)10-11-18(17)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)=113.335 kcal/mol

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

Topological Properties
Globularity: 0.180547	Sterimol/B1: 2.4814	Sterimol/B2: 3.21316	Sterimol/B3: 6.66826
Sterimol/B4: 7.58892	Sterimol/L: 15.5363

Surface and Volume Properties
Accessible surface: 613.584	Positive charged surface: 379.559	Negative charged surface: 234.025	Volume: 355.75
Hydrophobic surface: 514.442	Hydrophilic surface: 99.142

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.