MMsINC Database Search


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MMsINC code: MMs02945990

Type: Neutral
Formula: C₁₀H₁₄INO₄S

SMILES:

Ic1cc(S(=O)(=O)NCCOC)ccc1OC

InChI:

InChI=1/C10H14INO4S/c1-15-6-5-12-17(13,14)8-3-4-10(16-2)9(11)7-8/h3-4,7,12H,5-6H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=29.9816 kcal/mol

Physical Properties
Molecular Weight: 371.195 g/mol	logS: -2.4074	SlogP: 1.2245	Reactive groups: 0

Topological Properties
Globularity: 0.125879	Sterimol/B1: 2.48083	Sterimol/B2: 4.58597	Sterimol/B3: 5.42342
Sterimol/B4: 6.81048	Sterimol/L: 14.3941

Surface and Volume Properties
Accessible surface: 506.636	Positive charged surface: 306.819	Negative charged surface: 199.818	Volume: 251
Hydrophobic surface: 417.137	Hydrophilic surface: 89.499

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.