MMsINC Database Search


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MMsINC code: MMs00208754

Type: Neutral
Formula: C₁₈H₁₄INO₂S

SMILES:

Ic1ccc(NS(=O)(=O)c2ccc(cc2)-c2ccccc2)cc1

InChI:

InChI=1/C18H14INO2S/c19-16-8-10-17(11-9-16)20-23(21,22)18-12-6-15(7-13-18)14-4-2-1-3-5-14/h1-13,20H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.8739 kcal/mol

Physical Properties
Molecular Weight: 435.285 g/mol	logS: -6.46462	SlogP: 4.759	Reactive groups: 0

Topological Properties
Globularity: 0.0985	Sterimol/B1: 3.59555	Sterimol/B2: 4.01707	Sterimol/B3: 5.79797
Sterimol/B4: 6.53288	Sterimol/L: 14.9994

Surface and Volume Properties
Accessible surface: 571.129	Positive charged surface: 229.73	Negative charged surface: 331.509	Volume: 321.25
Hydrophobic surface: 487.802	Hydrophilic surface: 83.327

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.