MMsINC Database Search


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MMsINC code: MMs03477873

Type: Neutral
Formula: C₁₉H₂₀N₂O₂S

SMILES:

S(=O)(=O)(Nc1ccc(cc1)C)c1c2c(ccc1)c(N(C)C)ccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.189 kcal/mol

Physical Properties
Molecular Weight: 340.447 g/mol	logS: -5.32593	SlogP: 4.01502	Reactive groups: 0

Topological Properties
Globularity: 0.190509	Sterimol/B1: 2.37114	Sterimol/B2: 4.58356	Sterimol/B3: 5.1454
Sterimol/B4: 8.27905	Sterimol/L: 14.9442

Surface and Volume Properties
Accessible surface: 570.06	Positive charged surface: 360.772	Negative charged surface: 203.215	Volume: 325.25
Hydrophobic surface: 497.51	Hydrophilic surface: 72.55

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.