MMsINC Database Search


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MMsINC code: MMs01505163

Type: Neutral
Formula: C₁₉H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N(C)c1ccc(cc1)C)c1cc(ccc1)C(=O)NC(C)(C)C

InChI:

InChI=1/C19H24N2O3S/c1-14-9-11-16(12-10-14)21(5)25(23,24)17-8-6-7-15(13-17)18(22)20-19(2,3)4/h6-13H,1-5H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.182 kcal/mol

Physical Properties
Molecular Weight: 360.478 g/mol	logS: -4.72398	SlogP: 3.34842	Reactive groups: 0

Topological Properties
Globularity: 0.0877692	Sterimol/B1: 1.97609	Sterimol/B2: 3.31591	Sterimol/B3: 4.35425
Sterimol/B4: 9.90026	Sterimol/L: 14.9633

Surface and Volume Properties
Accessible surface: 630.459	Positive charged surface: 388.534	Negative charged surface: 241.925	Volume: 350.5
Hydrophobic surface: 504.686	Hydrophilic surface: 125.773

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.