MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03130679

Type: Neutral
Formula: C₂₆H₂₈S₂

SMILES:

S1Cc2c(C)c(c(CSCc3cc(-c4cc(C1)ccc4)ccc3)c(C)c2C)C

InChI:

InChI=1/C26H28S2/c1-17-18(2)26-16-28-14-22-8-6-10-24(12-22)23-9-5-7-21(11-23)13-27-15-25(17)19(3)20(26)4/h5-12H,13-16H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=165.289 kcal/mol

Physical Properties
Molecular Weight: 404.642 g/mol	logS: -9.52812	SlogP: 8.83308	Reactive groups: 0

Topological Properties
Globularity: 0.346987	Sterimol/B1: 2.15809	Sterimol/B2: 3.6629	Sterimol/B3: 7.36884
Sterimol/B4: 8.69366	Sterimol/L: 13.1885

Surface and Volume Properties
Accessible surface: 581.494	Positive charged surface: 332.944	Negative charged surface: 239.904	Volume: 409.5
Hydrophobic surface: 505.012	Hydrophilic surface: 76.482

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.