MMsINC Database Search


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MMsINC code: MMs00193366

Type: Neutral
Formula: C₁₈H₁₃ClN₂O₂S

SMILES:

Clc1ccc(NC(=O)c2ccccc2NC(=O)c2sccc2)cc1

InChI:

InChI=1/C18H13ClN2O2S/c19-12-7-9-13(10-8-12)20-17(22)14-4-1-2-5-15(14)21-18(23)16-6-3-11-24-16/h1-11H,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2924 kcal/mol

Physical Properties
Molecular Weight: 356.833 g/mol	logS: -5.86582	SlogP: 4.9061	Reactive groups: 0

Topological Properties
Globularity: 0.0284618	Sterimol/B1: 2.48704	Sterimol/B2: 2.84772	Sterimol/B3: 3.21021
Sterimol/B4: 10.2993	Sterimol/L: 15.6779

Surface and Volume Properties
Accessible surface: 587.112	Positive charged surface: 257.204	Negative charged surface: 329.908	Volume: 312.75
Hydrophobic surface: 528.792	Hydrophilic surface: 58.32

Pharmacophoric Properties
Hydrogen bond donors: 2	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.