MMsINC Database Search


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MMsINC code: MMs02690105

Type: Neutral
Formula: C₁₂H₁₂N₂O₂S₂

SMILES:

S(Cc1ccccc1)c1ncc(S(=O)(=O)N)cc1

InChI:

InChI=1/C12H12N2O2S2/c13-18(15,16)11-6-7-12(14-8-11)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,13,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=8.74658 kcal/mol

Physical Properties
Molecular Weight: 280.372 g/mol	logS: -3.45391	SlogP: 2.2877	Reactive groups: 0

Topological Properties
Globularity: 0.0588623	Sterimol/B1: 3.3416	Sterimol/B2: 3.34942	Sterimol/B3: 3.60918
Sterimol/B4: 3.93658	Sterimol/L: 16.2013

Surface and Volume Properties
Accessible surface: 499.66	Positive charged surface: 268.61	Negative charged surface: 231.05	Volume: 244.5
Hydrophobic surface: 319.386	Hydrophilic surface: 180.274

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02690106
PUBCHEM-ZINC00481326