MMsINC Database Search


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MMsINC code: MMs02285611

Type: Neutral
Formula: C₁₄H₈N₂S₆

SMILES:

s1c2c(nc1SSSSc1sc3c(n1)cccc3)cccc2

InChI:

InChI=1/C14H8N2S6/c1-3-7-11-9(5-1)15-13(17-11)19-21-22-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.095 kcal/mol

Physical Properties
Molecular Weight: 396.628 g/mol	logS: -10.1152	SlogP: 7.0018	Reactive groups: 1

Topological Properties
Globularity: 0.0431594	Sterimol/B1: 2.15698	Sterimol/B2: 3.34156	Sterimol/B3: 4.65197
Sterimol/B4: 5.75435	Sterimol/L: 18.8009

Surface and Volume Properties
Accessible surface: 608.74	Positive charged surface: 212.627	Negative charged surface: 330.838	Volume: 316.125
Hydrophobic surface: 554.574	Hydrophilic surface: 54.166

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.