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MMsINC code: MMs01984903

Type: Neutral
Formula: C₂₃H₁₅ClN₂O₂S

SMILES:

Clc1cc(ccc1)C(=O)Nc1sc(C(=O)c2ccccc2)c(n1)-c1ccccc1

InChI:

InChI=1/C23H15ClN2O2S/c24-18-13-7-12-17(14-18)22(28)26-23-25-19(15-8-3-1-4-9-15)21(29-23)20(27)16-10-5-2-6-11-16/h1-14H,(H,25,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.452 kcal/mol

Physical Properties
Molecular Weight: 418.904 g/mol	logS: -8.18144	SlogP: 5.9468	Reactive groups: 0

Topological Properties
Globularity: 0.0690393	Sterimol/B1: 2.16019	Sterimol/B2: 4.18651	Sterimol/B3: 4.43663
Sterimol/B4: 8.66717	Sterimol/L: 17.7467

Surface and Volume Properties
Accessible surface: 663.629	Positive charged surface: 304.392	Negative charged surface: 359.236	Volume: 375.875
Hydrophobic surface: 577.136	Hydrophilic surface: 86.493

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

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Ions/Tautomers related molecules: no related molecules available.