MMsINC Database Search


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MMsINC code: MMs00512941

Type: Neutral
Formula: C₁₁H₁₀INO₂S₂

SMILES:

Ic1ccc(S(=O)(=O)NCc2sccc2)cc1

InChI:

InChI=1/C11H10INO2S2/c12-9-3-5-11(6-4-9)17(14,15)13-8-10-2-1-7-16-10/h1-7,13H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=7.92976 kcal/mol

Physical Properties
Molecular Weight: 379.242 g/mol	logS: -3.78895	SlogP: 3.0976	Reactive groups: 0

Topological Properties
Globularity: 0.123472	Sterimol/B1: 3.34476	Sterimol/B2: 3.62732	Sterimol/B3: 4.12108
Sterimol/B4: 5.70488	Sterimol/L: 15.6196

Surface and Volume Properties
Accessible surface: 499.869	Positive charged surface: 175.304	Negative charged surface: 324.566	Volume: 251.875
Hydrophobic surface: 414.076	Hydrophilic surface: 85.793

Pharmacophoric Properties
Hydrogen bond donors: 1	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.