MMsINC Database Search


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MMsINC code: MMs01306776

Type: Neutral
Formula: C₁₇H₂₆N₂O₅S

SMILES:

S(=O)(=O)(N1CCCC1)c1cc(ccc1)C(=O)N(CCOC)CCOC

InChI:

InChI=1/C17H26N2O5S/c1-23-12-10-18(11-13-24-2)17(20)15-6-5-7-16(14-15)25(21,22)19-8-3-4-9-19/h5-7,14H,3-4,8-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7862 kcal/mol

Physical Properties
Molecular Weight: 370.47 g/mol	logS: -2.17624	SlogP: 1.2061	Reactive groups: 0

Topological Properties
Globularity: 0.142949	Sterimol/B1: 2.12506	Sterimol/B2: 3.78773	Sterimol/B3: 4.78106
Sterimol/B4: 10.4037	Sterimol/L: 13.9104

Surface and Volume Properties
Accessible surface: 627.183	Positive charged surface: 497.736	Negative charged surface: 129.447	Volume: 350.5
Hydrophobic surface: 546.095	Hydrophilic surface: 81.088

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.