MMsINC Database Search


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

MMsINC code: MMs02901420

Type: Neutral
Formula: C₁₉H₂₀N₂O₂S

SMILES:

S(=O)(=O)(Nc1cc(C)c(cc1)C(C)C)c1c2ncccc2ccc1

InChI:

InChI=1/C19H20N2O2S/c1-13(2)17-10-9-16(12-14(17)3)21-24(22,23)18-8-4-6-15-7-5-11-20-19(15)18/h4-13,21H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9604 kcal/mol

Physical Properties
Molecular Weight: 340.447 g/mol	logS: -5.61354	SlogP: 4.46742	Reactive groups: 0

Topological Properties
Globularity: 0.224789	Sterimol/B1: 2.09239	Sterimol/B2: 4.28156	Sterimol/B3: 5.17354
Sterimol/B4: 7.23778	Sterimol/L: 14.3792

Surface and Volume Properties
Accessible surface: 570.995	Positive charged surface: 341.952	Negative charged surface: 224.328	Volume: 321.25
Hydrophobic surface: 448.209	Hydrophilic surface: 122.786

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.