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MMsINC code: MMs01512034

Type: Neutral
Formula: C₁₅H₁₆N₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(cc1)CNC(=O)c1ccc(cc1)C

InChI:

InChI=1/C15H16N2O3S/c1-11-2-6-13(7-3-11)15(18)17-10-12-4-8-14(9-5-12)21(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.6621 kcal/mol

Physical Properties
Molecular Weight: 304.37 g/mol	logS: -3.99944	SlogP: 1.83882	Reactive groups: 0

Topological Properties
Globularity: 0.0425148	Sterimol/B1: 2.42606	Sterimol/B2: 3.60973	Sterimol/B3: 3.63919
Sterimol/B4: 6.28371	Sterimol/L: 17.7886

Surface and Volume Properties
Accessible surface: 551.117	Positive charged surface: 292.964	Negative charged surface: 258.153	Volume: 276.25
Hydrophobic surface: 373.542	Hydrophilic surface: 177.575

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs01512035
ENAMINE-ZINC03567093