MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01375010

Type: Neutral
Formula: C₁₅H₁₆N₂O₃S

SMILES:

S(=O)(=O)(NC)c1cc(ccc1)C(=O)Nc1ccccc1C

InChI:

InChI=1/C15H16N2O3S/c1-11-6-3-4-9-14(11)17-15(18)12-7-5-8-13(10-12)21(19,20)16-2/h3-10,16H,1-2H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.9313 kcal/mol

Physical Properties
Molecular Weight: 304.37 g/mol	logS: -3.35332	SlogP: 2.15542	Reactive groups: 0

Topological Properties
Globularity: 0.0330986	Sterimol/B1: 3.14002	Sterimol/B2: 3.19046	Sterimol/B3: 3.74227
Sterimol/B4: 6.83568	Sterimol/L: 15.1058

Surface and Volume Properties
Accessible surface: 532.794	Positive charged surface: 305.39	Negative charged surface: 227.404	Volume: 275.875
Hydrophobic surface: 413.645	Hydrophilic surface: 119.149

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.