MMsINC Database Search


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MMsINC code: MMs02814944

Type: Neutral
Formula: C₁₀H₆N₂S₂

SMILES:

S1c2cccnc2Sc2cccnc12

InChI:

InChI=1/C10H6N2S2/c1-3-7-9(11-5-1)14-8-4-2-6-12-10(8)13-7/h1-6H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.9957 kcal/mol

Physical Properties
Molecular Weight: 218.304 g/mol	logS: -2.34472	SlogP: 3.0924	Reactive groups: 0

Topological Properties
Globularity: 0.0200565	Sterimol/B1: 2.097	Sterimol/B2: 3.32767	Sterimol/B3: 3.4667
Sterimol/B4: 4.20701	Sterimol/L: 12.3216

Surface and Volume Properties
Accessible surface: 381.377	Positive charged surface: 206.289	Negative charged surface: 175.088	Volume: 185.875
Hydrophobic surface: 261.412	Hydrophilic surface: 119.965

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.