MMsINC Database Search


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MMsINC code: MMs02146661

Type: Neutral
Formula: C₁₅H₁₀N₂OS₂

SMILES:

s1cc(nc1-c1cccnc1)C(Sc1ccccc1)=O

InChI:

InChI=1/C15H10N2OS2/c18-15(20-12-6-2-1-3-7-12)13-10-19-14(17-13)11-5-4-8-16-9-11/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3416 kcal/mol

Physical Properties
Molecular Weight: 298.39 g/mol	logS: -5.01156	SlogP: 4.1376	Reactive groups: 0

Topological Properties
Globularity: 0.0411508	Sterimol/B1: 3.60003	Sterimol/B2: 3.6227	Sterimol/B3: 3.77274
Sterimol/B4: 5.26793	Sterimol/L: 17.2181

Surface and Volume Properties
Accessible surface: 516.989	Positive charged surface: 274.184	Negative charged surface: 242.805	Volume: 268.75
Hydrophobic surface: 429.591	Hydrophilic surface: 87.398

Pharmacophoric Properties
Hydrogen bond donors: 0	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.