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MMsINC code: MMs00861571

Type: Neutral
Formula: C₁₉H₁₈N₂O₄S

SMILES:

S1C(Nc2ccc(cc2C)C)C(=O)N(Cc2cc(ccc2)C(O)=O)C1=O

InChI:

InChI=1/C19H18N2O4S/c1-11-6-7-15(12(2)8-11)20-16-17(22)21(19(25)26-16)10-13-4-3-5-14(9-13)18(23)24/h3-9,16,20H,10H2,1-2H3,(H,23,24)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.6963 kcal/mol

Physical Properties
Molecular Weight: 370.429 g/mol	logS: -5.08433	SlogP: 3.90164	Reactive groups: 0

Topological Properties
Globularity: 0.066968	Sterimol/B1: 3.59284	Sterimol/B2: 3.91828	Sterimol/B3: 5.30927
Sterimol/B4: 5.92058	Sterimol/L: 15.9733

Surface and Volume Properties
Accessible surface: 616.575	Positive charged surface: 326.645	Negative charged surface: 289.93	Volume: 336.25
Hydrophobic surface: 399.678	Hydrophilic surface: 216.897

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00861572
CHEMDIV-ZINC01018905