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MMsINC code: MMs01255473

Type: Neutral
Formula: C₂₃H₂₀N₂O₂S

SMILES:

s1c(-c2ccc(cc2)C)c(nc1-c1ccccc1)CC(=O)NCc1occc1

InChI:

InChI=1/C23H20N2O2S/c1-16-9-11-17(12-10-16)22-20(14-21(26)24-15-19-8-5-13-27-19)25-23(28-22)18-6-3-2-4-7-18/h2-13H,14-15H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.5902 kcal/mol

Physical Properties
Molecular Weight: 388.491 g/mol	logS: -7.68926	SlogP: 5.50379	Reactive groups: 0

Topological Properties
Globularity: 0.0562327	Sterimol/B1: 2.46312	Sterimol/B2: 3.44733	Sterimol/B3: 3.65851
Sterimol/B4: 12.1203	Sterimol/L: 18.3051

Surface and Volume Properties
Accessible surface: 697.484	Positive charged surface: 379.923	Negative charged surface: 317.56	Volume: 375.75
Hydrophobic surface: 625.523	Hydrophilic surface: 71.961

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.