MMsINC Database Search


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

MMsINC code: MMs02935559

Type: Neutral
Formula: C₂₀H₁₉NO₂S

SMILES:

S(=O)(=O)(N(Cc1ccccc1)c1cc(ccc1)C)c1ccccc1

InChI:

InChI=1/C20H19NO2S/c1-17-9-8-12-19(15-17)21(16-18-10-4-2-5-11-18)24(22,23)20-13-6-3-7-14-20/h2-15H,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.0359 kcal/mol

Physical Properties
Molecular Weight: 337.443 g/mol	logS: -5.36412	SlogP: 4.65692	Reactive groups: 0

Topological Properties
Globularity: 0.163005	Sterimol/B1: 2.18463	Sterimol/B2: 2.33084	Sterimol/B3: 5.56742
Sterimol/B4: 8.98626	Sterimol/L: 14.9714

Surface and Volume Properties
Accessible surface: 568.156	Positive charged surface: 317.721	Negative charged surface: 250.435	Volume: 328.375
Hydrophobic surface: 522.494	Hydrophilic surface: 45.662

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.