MMsINC Database Search


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MMsINC code: MMs03302189

Type: Neutral
Formula: C₁₆H₁₂Cl₂N₂S₂

SMILES:

Clc1sc(Cl)cc1-c1nc(SCc2ccc(cc2)C)ncc1

InChI:

InChI=1/C16H12Cl2N2S2/c1-10-2-4-11(5-3-10)9-21-16-19-7-6-13(20-16)12-8-14(17)22-15(12)18/h2-8H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.1912 kcal/mol

Physical Properties
Molecular Weight: 367.324 g/mol	logS: -8.29273	SlogP: 6.37902	Reactive groups: 0

Topological Properties
Globularity: 0.0357554	Sterimol/B1: 3.59448	Sterimol/B2: 3.67176	Sterimol/B3: 4.30999
Sterimol/B4: 5.57251	Sterimol/L: 19.8403

Surface and Volume Properties
Accessible surface: 596.628	Positive charged surface: 256.876	Negative charged surface: 339.751	Volume: 312.625
Hydrophobic surface: 539.843	Hydrophilic surface: 56.785

Pharmacophoric Properties
Hydrogen bond donors: 0	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.