MMsINC Database Search


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MMsINC code: MMs01233861

Type: Neutral
Formula: C₁₀H₁₀N₂O₂S₂

SMILES:

s1cccc1S(=O)(=O)NNc1ccccc1

InChI:

InChI=1/C10H10N2O2S2/c13-16(14,10-7-4-8-15-10)12-11-9-5-2-1-3-6-9/h1-8,11-12H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2792 kcal/mol

Physical Properties
Molecular Weight: 254.334 g/mol	logS: -2.99166	SlogP: 2.0535	Reactive groups: 0

Topological Properties
Globularity: 0.0378256	Sterimol/B1: 2.60031	Sterimol/B2: 3.60144	Sterimol/B3: 3.79812
Sterimol/B4: 4.96658	Sterimol/L: 14.0889

Surface and Volume Properties
Accessible surface: 448.433	Positive charged surface: 190.398	Negative charged surface: 258.035	Volume: 216
Hydrophobic surface: 355.407	Hydrophilic surface: 93.026

Pharmacophoric Properties
Hydrogen bond donors: 2	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.