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MMsINC code: MMs03121700

Type: Neutral
Formula: C₁₉H₂₈N₂O₄S

SMILES:

S1CC(N(C(=O)c2ccc(OC)cc2)C1CC(C)C)C(=O)NCCOC

InChI:

InChI=1/C19H28N2O4S/c1-13(2)11-17-21(16(12-26-17)18(22)20-9-10-24-3)19(23)14-5-7-15(25-4)8-6-14/h5-8,13,16-17H,9-12H2,1-4H3,(H,20,22)/t16-,17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=270 kcal/mol

Physical Properties
Molecular Weight: 380.509 g/mol	logS: -4.37148	SlogP: 2.3876	Reactive groups: 0

Topological Properties
Globularity: 0.0735765	Sterimol/B1: 3.51469	Sterimol/B2: 3.60876	Sterimol/B3: 4.78532
Sterimol/B4: 7.4789	Sterimol/L: 18.0739

Surface and Volume Properties
Accessible surface: 641.938	Positive charged surface: 478.688	Negative charged surface: 163.25	Volume: 362.375
Hydrophobic surface: 509.511	Hydrophilic surface: 132.427

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.