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MMsINC code: MMs00971786

Type: Neutral
Formula: C₁₉H₂₀N₂O₂S

SMILES:

s1c-2c(cc1C(=O)NC1CCCC1)C(=O)N(c1c-2cccc1)CC

InChI:

InChI=1/C19H20N2O2S/c1-2-21-15-10-6-5-9-13(15)17-14(19(21)23)11-16(24-17)18(22)20-12-7-3-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0827 kcal/mol

Physical Properties
Molecular Weight: 340.447 g/mol	logS: -5.23449	SlogP: 4.0676	Reactive groups: 0

Topological Properties
Globularity: 0.0359056	Sterimol/B1: 2.57781	Sterimol/B2: 2.68048	Sterimol/B3: 4.47036
Sterimol/B4: 7.72119	Sterimol/L: 17.0281

Surface and Volume Properties
Accessible surface: 591.029	Positive charged surface: 350.372	Negative charged surface: 240.657	Volume: 322.875
Hydrophobic surface: 500.637	Hydrophilic surface: 90.392

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.