MMsINC Database Search


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MMsINC code: MMs02804893

Type: Neutral
Formula: C₁₄H₁₀Cl₂INO₂

SMILES:

Ic1ccccc1COC(=O)Nc1cc(Cl)c(Cl)cc1

InChI:

InChI=1/C14H10Cl2INO2/c15-11-6-5-10(7-12(11)16)18-14(19)20-8-9-3-1-2-4-13(9)17/h1-7H,8H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.0862 kcal/mol

Physical Properties
Molecular Weight: 422.049 g/mol	logS: -5.89179	SlogP: 5.6131	Reactive groups: 0

Topological Properties
Globularity: 0.013741	Sterimol/B1: 2.35689	Sterimol/B2: 2.61648	Sterimol/B3: 3.35659
Sterimol/B4: 7.07362	Sterimol/L: 17.3896

Surface and Volume Properties
Accessible surface: 553.007	Positive charged surface: 201.432	Negative charged surface: 351.575	Volume: 287.625
Hydrophobic surface: 498.057	Hydrophilic surface: 54.95

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.