MMsINC Database Search


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MMsINC code: MMs03242355

Type: Neutral
Formula: C₁₀H₆N₂S₂

SMILES:

S1c2c(Sc3c1cncc3)cncc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.9575 kcal/mol

Physical Properties
Molecular Weight: 218.304 g/mol	logS: -1.7222	SlogP: 3.0924	Reactive groups: 0

Topological Properties
Globularity: 0.017567	Sterimol/B1: 2.42799	Sterimol/B2: 2.94967	Sterimol/B3: 3.0093
Sterimol/B4: 5.26421	Sterimol/L: 12.3564

Surface and Volume Properties
Accessible surface: 372.531	Positive charged surface: 239.134	Negative charged surface: 133.397	Volume: 185.75
Hydrophobic surface: 273.539	Hydrophilic surface: 98.992

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.