MMsINC Database Search


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MMsINC code: MMs02039228

Type: Neutral
Formula: C₁₉H₂₀N₂O₂S

SMILES:

S(=O)(=O)(c1cnc2c(cccc2)c1N(CC)CC)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=181.893 kcal/mol

Physical Properties
Molecular Weight: 340.447 g/mol	logS: -4.5198	SlogP: 3.9138	Reactive groups: 0

Topological Properties
Globularity: 0.314193	Sterimol/B1: 2.55918	Sterimol/B2: 4.16799	Sterimol/B3: 5.15931
Sterimol/B4: 6.63463	Sterimol/L: 13.542

Surface and Volume Properties
Accessible surface: 509.875	Positive charged surface: 312.572	Negative charged surface: 196.492	Volume: 317.25
Hydrophobic surface: 410.251	Hydrophilic surface: 99.624

Pharmacophoric Properties
Hydrogen bond donors: 0	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

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Ions/Tautomers related molecules: no related molecules available.