MMsINC Database Search


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

MMsINC code: MMs03096540

Type: Neutral
Formula: C₁₉H₁₇NO₃S

SMILES:

S(=O)(=O)(CC(=O)Nc1cc(ccc1)C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C19H17NO3S/c1-14-5-4-8-17(11-14)20-19(21)13-24(22,23)18-10-9-15-6-2-3-7-16(15)12-18/h2-12H,13H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.4239 kcal/mol

Physical Properties
Molecular Weight: 339.415 g/mol	logS: -5.8738	SlogP: 3.56062	Reactive groups: 0

Topological Properties
Globularity: 0.0331279	Sterimol/B1: 2.46758	Sterimol/B2: 2.57829	Sterimol/B3: 4.58818
Sterimol/B4: 6.03033	Sterimol/L: 19.1431

Surface and Volume Properties
Accessible surface: 586.92	Positive charged surface: 308.146	Negative charged surface: 268.483	Volume: 314.875
Hydrophobic surface: 491.994	Hydrophilic surface: 94.926

Pharmacophoric Properties
Hydrogen bond donors: 1	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.