MMsINC Database Search


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MMsINC code: MMs01342190

Type: Neutral
Formula: C₂₀H₂₀N₂OS

SMILES:

s1cccc1C(=O)Nc1ccc(N(C(C)C)c2ccccc2)cc1

InChI:

InChI=1/C20H20N2OS/c1-15(2)22(17-7-4-3-5-8-17)18-12-10-16(11-13-18)21-20(23)19-9-6-14-24-19/h3-15H,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.391 kcal/mol

Physical Properties
Molecular Weight: 336.459 g/mol	logS: -5.56723	SlogP: 5.5469	Reactive groups: 0

Topological Properties
Globularity: 0.0663505	Sterimol/B1: 2.35048	Sterimol/B2: 2.64208	Sterimol/B3: 5.47589
Sterimol/B4: 7.92044	Sterimol/L: 17.8814

Surface and Volume Properties
Accessible surface: 592.567	Positive charged surface: 318.609	Negative charged surface: 273.958	Volume: 333.75
Hydrophobic surface: 515.53	Hydrophilic surface: 77.037

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.