MMsINC Database Search


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MMsINC code: MMs02389259

Type: Neutral
Formula: C₂₀H₂₆N₄S₂

SMILES:

S(CCCCCCSC(Nc1ccccc1)=N)C(Nc1ccccc1)=N

InChI:

InChI=1/C20H26N4S2/c21-19(23-17-11-5-3-6-12-17)25-15-9-1-2-10-16-26-20(22)24-18-13-7-4-8-14-18/h3-8,11-14H,1-2,9-10,15-16H2,(H2,21,23)(H2,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.4162 kcal/mol

Physical Properties
Molecular Weight: 386.588 g/mol	logS: -6.88768	SlogP: 6.10694	Reactive groups: 0

Topological Properties
Globularity: 0.0170872	Sterimol/B1: 1.307	Sterimol/B2: 2.79934	Sterimol/B3: 3.4332
Sterimol/B4: 8.8832	Sterimol/L: 23.2908

Surface and Volume Properties
Accessible surface: 722.465	Positive charged surface: 478.714	Negative charged surface: 243.751	Volume: 384
Hydrophobic surface: 539.504	Hydrophilic surface: 182.961

Pharmacophoric Properties
Hydrogen bond donors: 4	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: 0

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Ions/Tautomers related molecules: no related molecules available.