MMsINC Database Search


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MMsINC code: MMs02027960

Type: Neutral
Formula: C₁₈H₁₁ClN₂OS₂

SMILES:

Clc1sc(cc1)C(=O)Nc1ccccc1-c1sc2c(n1)cccc2

InChI:

InChI=1/C18H11ClN2OS2/c19-16-10-9-15(23-16)17(22)20-12-6-2-1-5-11(12)18-21-13-7-3-4-8-14(13)24-18/h1-10H,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.5375 kcal/mol

Physical Properties
Molecular Weight: 370.884 g/mol	logS: -7.57786	SlogP: 5.9305	Reactive groups: 0

Topological Properties
Globularity: 0.0202804	Sterimol/B1: 2.49392	Sterimol/B2: 2.67747	Sterimol/B3: 3.16061
Sterimol/B4: 11.811	Sterimol/L: 14.4653

Surface and Volume Properties
Accessible surface: 575.366	Positive charged surface: 250.782	Negative charged surface: 324.583	Volume: 315.625
Hydrophobic surface: 517.728	Hydrophilic surface: 57.638

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.