MMsINC Database Search


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MMsINC code: MMs02267449

Type: Neutral
Formula: C₁₅H₁₆N₂O₄S

SMILES:

S(=O)(=O)(NCC(O)=O)c1ccc(NCc2ccccc2)cc1

InChI:

InChI=1/C15H16N2O4S/c18-15(19)11-17-22(20,21)14-8-6-13(7-9-14)16-10-12-4-2-1-3-5-12/h1-9,16-17H,10-11H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.629 kcal/mol

Physical Properties
Molecular Weight: 320.369 g/mol	logS: -2.78306	SlogP: 1.928	Reactive groups: 0

Topological Properties
Globularity: 0.0537604	Sterimol/B1: 3.19457	Sterimol/B2: 3.85354	Sterimol/B3: 4.16728
Sterimol/B4: 5.33586	Sterimol/L: 17.4742

Surface and Volume Properties
Accessible surface: 564.311	Positive charged surface: 302.96	Negative charged surface: 261.352	Volume: 284.25
Hydrophobic surface: 356.572	Hydrophilic surface: 207.739

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

MMs02267450
NCID-ZINC01618805