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MMsINC code: MMs01061262

Type: Neutral
Formula: C₁₆H₁₁ClN₂O₂S

SMILES:

Clc1cc(NC(=O)c2noc-3c2CCc2sccc2-3)ccc1

InChI:

InChI=1/C16H11ClN2O2S/c17-9-2-1-3-10(8-9)18-16(20)14-12-4-5-13-11(6-7-22-13)15(12)21-19-14/h1-3,6-8H,4-5H2,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.8122 kcal/mol

Physical Properties
Molecular Weight: 330.795 g/mol	logS: -5.30918	SlogP: 4.40734	Reactive groups: 0

Topological Properties
Globularity: 0.0257744	Sterimol/B1: 2.82393	Sterimol/B2: 3.15424	Sterimol/B3: 4.00339
Sterimol/B4: 5.5031	Sterimol/L: 17.1525

Surface and Volume Properties
Accessible surface: 535.115	Positive charged surface: 249.876	Negative charged surface: 285.239	Volume: 282.875
Hydrophobic surface: 467.743	Hydrophilic surface: 67.372

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.