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MMsINC code: MMs01209476

Type: Neutral
Formula: C₁₆H₂₂N₂O₅S

SMILES:

S1CC(=O)N(CC(=O)NCCOC)C1c1cc(OC)ccc1OC

InChI:

InChI=1/C16H22N2O5S/c1-21-7-6-17-14(19)9-18-15(20)10-24-16(18)12-8-11(22-2)4-5-13(12)23-3/h4-5,8,16H,6-7,9-10H2,1-3H3,(H,17,19)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.5668 kcal/mol

Physical Properties
Molecular Weight: 354.427 g/mol	logS: -2.86244	SlogP: 1.1359	Reactive groups: 0

Topological Properties
Globularity: 0.273458	Sterimol/B1: 2.56813	Sterimol/B2: 5.198	Sterimol/B3: 5.98065
Sterimol/B4: 9.22156	Sterimol/L: 14.0729

Surface and Volume Properties
Accessible surface: 625.432	Positive charged surface: 487.85	Negative charged surface: 137.582	Volume: 325.75
Hydrophobic surface: 491.79	Hydrophilic surface: 133.642

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.