MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01505848

Type: Neutral
Formula: C₁₃H₇Cl₂IO₂

SMILES:

Ic1cc(ccc1)C(Oc1cc(Cl)ccc1Cl)=O

InChI:

InChI=1/C13H7Cl2IO2/c14-9-4-5-11(15)12(7-9)18-13(17)8-2-1-3-10(16)6-8/h1-7H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.3702 kcal/mol

Physical Properties
Molecular Weight: 393.007 g/mol	logS: -5.95904	SlogP: 4.8172	Reactive groups: 0

Topological Properties
Globularity: 0.0937697	Sterimol/B1: 2.53895	Sterimol/B2: 3.61911	Sterimol/B3: 5.14394
Sterimol/B4: 6.10331	Sterimol/L: 14.189

Surface and Volume Properties
Accessible surface: 503.244	Positive charged surface: 148.331	Negative charged surface: 354.912	Volume: 257.25
Hydrophobic surface: 479.035	Hydrophilic surface: 24.209

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.