MMsINC Database Search


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MMsINC code: MMs01716712

Type: Neutral
Formula: C₁₉H₁₄N₄OS₂

SMILES:

S1\C(=C/c2cn(nc2-c2cccnc2)Cc2ccccc2)\C(=O)NC1=S

InChI:

InChI=1/C19H14N4OS2/c24-18-16(26-19(25)21-18)9-15-12-23(11-13-5-2-1-3-6-13)22-17(15)14-7-4-8-20-10-14/h1-10,12H,11H2,(H,21,24,25)/b16-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.5036 kcal/mol

Physical Properties
Molecular Weight: 378.48 g/mol	logS: -5.57893	SlogP: 3.7486	Reactive groups: 0

Topological Properties
Globularity: 0.102071	Sterimol/B1: 2.41526	Sterimol/B2: 5.35744	Sterimol/B3: 6.86705
Sterimol/B4: 8.39628	Sterimol/L: 14.5418

Surface and Volume Properties
Accessible surface: 625.558	Positive charged surface: 325.004	Negative charged surface: 300.554	Volume: 338.125
Hydrophobic surface: 387.742	Hydrophilic surface: 237.816

Pharmacophoric Properties
Hydrogen bond donors: 1	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.