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MMsINC code: MMs01308839

Type: Neutral
Formula: C₁₈H₂₆N₂O₄S

SMILES:

S(=O)(=O)(N1CCCCC1)c1cc(C(=O)NCC2OCCC2)c(cc1)C

InChI:

InChI=1/C18H26N2O4S/c1-14-7-8-16(25(22,23)20-9-3-2-4-10-20)12-17(14)18(21)19-13-15-6-5-11-24-15/h7-8,12,15H,2-6,9-11,13H2,1H3,(H,19,21)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.8069 kcal/mol

Physical Properties
Molecular Weight: 366.482 g/mol	logS: -3.36766	SlogP: 2.07842	Reactive groups: 0

Topological Properties
Globularity: 0.057443	Sterimol/B1: 2.15039	Sterimol/B2: 2.53221	Sterimol/B3: 5.0489
Sterimol/B4: 9.9647	Sterimol/L: 15.6483

Surface and Volume Properties
Accessible surface: 631.646	Positive charged surface: 448.531	Negative charged surface: 183.115	Volume: 344.5
Hydrophobic surface: 538.134	Hydrophilic surface: 93.512

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.