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MMsINC code: MMs02627711

Type: Neutral
Formula: C₁₇H₂₀N₂O₄S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)CCNC(=O)C(Oc1ccccc1)C

InChI:

InChI=1/C17H20N2O4S/c1-13(23-15-5-3-2-4-6-15)17(20)19-12-11-14-7-9-16(10-8-14)24(18,21)22/h2-10,13H,11-12H2,1H3,(H,19,20)(H2,18,21,22)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.759 kcal/mol

Physical Properties
Molecular Weight: 348.423 g/mol	logS: -3.99102	SlogP: 1.46017	Reactive groups: 0

Topological Properties
Globularity: 0.037966	Sterimol/B1: 2.11112	Sterimol/B2: 3.00883	Sterimol/B3: 4.18693
Sterimol/B4: 5.96973	Sterimol/L: 20.9341

Surface and Volume Properties
Accessible surface: 627.913	Positive charged surface: 354.089	Negative charged surface: 273.824	Volume: 320.875
Hydrophobic surface: 426.389	Hydrophilic surface: 201.524

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02627712
PUBCHEM-ZINC00031771