MMsINC Database Search


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MMsINC code: MMs03304150

Type: Neutral
Formula: C₁₁H₁₂N₄S₄

SMILES:

S1S\C(=N\C(=S)N(C)C)\N(Cc2cccnc2)C1=S

InChI:

InChI=1/C11H12N4S4/c1-14(2)9(16)13-10-15(11(17)19-18-10)7-8-4-3-5-12-6-8/h3-6H,7H2,1-2H3/b13-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.545 kcal/mol

Physical Properties
Molecular Weight: 328.509 g/mol	logS: -5.85312	SlogP: 3.0324	Reactive groups: 1

Topological Properties
Globularity: 0.252476	Sterimol/B1: 2.47108	Sterimol/B2: 3.18073	Sterimol/B3: 4.57568
Sterimol/B4: 7.77004	Sterimol/L: 11.0781

Surface and Volume Properties
Accessible surface: 478.89	Positive charged surface: 239.98	Negative charged surface: 238.91	Volume: 273.5
Hydrophobic surface: 352.19	Hydrophilic surface: 126.7

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.