MMsINC Database Search


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MMsINC code: MMs03154783

Type: Neutral
Formula: C₁₉H₂₄N₂O₃S

SMILES:

S(=O)(=O)(NCCCC)c1ccc(NC(=O)c2cc(C)c(cc2)C)cc1

InChI:

InChI=1/C19H24N2O3S/c1-4-5-12-20-25(23,24)18-10-8-17(9-11-18)21-19(22)16-7-6-14(2)15(3)13-16/h6-11,13,20H,4-5,12H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.5906 kcal/mol

Physical Properties
Molecular Weight: 360.478 g/mol	logS: -5.18489	SlogP: 3.63414	Reactive groups: 0

Topological Properties
Globularity: 0.0332477	Sterimol/B1: 2.48842	Sterimol/B2: 2.55477	Sterimol/B3: 4.80068
Sterimol/B4: 7.88942	Sterimol/L: 20.205

Surface and Volume Properties
Accessible surface: 647.685	Positive charged surface: 385.569	Negative charged surface: 262.116	Volume: 347.75
Hydrophobic surface: 504.234	Hydrophilic surface: 143.451

Pharmacophoric Properties
Hydrogen bond donors: 2	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.