MMsINC Database Search


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MMsINC code: MMs01511986

Type: Neutral
Formula: C₁₉H₁₈N₂O₂S

SMILES:

S(CC(=O)c1ccccc1)C1=Nc2c(cccc2)C(=O)N1C(C)C

InChI:

InChI=1/C19H18N2O2S/c1-13(2)21-18(23)15-10-6-7-11-16(15)20-19(21)24-12-17(22)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.7454 kcal/mol

Physical Properties
Molecular Weight: 338.431 g/mol	logS: -5.88697	SlogP: 4.1544	Reactive groups: 0

Topological Properties
Globularity: 0.0308146	Sterimol/B1: 2.37256	Sterimol/B2: 2.55883	Sterimol/B3: 4.87664
Sterimol/B4: 9.33722	Sterimol/L: 15.7454

Surface and Volume Properties
Accessible surface: 588.072	Positive charged surface: 326.529	Negative charged surface: 261.544	Volume: 321.375
Hydrophobic surface: 465.808	Hydrophilic surface: 122.264

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.