MMsINC Database Search


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MMsINC code: MMs02900589

Type: Neutral
Formula: C₄H₄N₂S₂

SMILES:

SC(=S)c1[nH]cnc1

InChI:

InChI=1/C4H4N2S2/c7-4(8)3-1-5-2-6-3/h1-2H,(H,5,6)(H,7,8)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.0607 kcal/mol

Physical Properties
Molecular Weight: 144.222 g/mol	logS: -2.74463	SlogP: 1.015	Reactive groups: 0

Topological Properties
Globularity: 0.0280406	Sterimol/B1: 2.40287	Sterimol/B2: 2.90111	Sterimol/B3: 2.94386
Sterimol/B4: 5.41665	Sterimol/L: 9.77918

Surface and Volume Properties
Accessible surface: 299.736	Positive charged surface: 153.109	Negative charged surface: 146.627	Volume: 119.875
Hydrophobic surface: 126.038	Hydrophilic surface: 173.698

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.