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MMsINC code: MMs02376165

Type: Neutral
Formula: C₁₆H₁₈INO₂

SMILES:

Ic1ccccc1CNCc1cc(OC)cc(OC)c1

InChI:

InChI=1/C16H18INO2/c1-19-14-7-12(8-15(9-14)20-2)10-18-11-13-5-3-4-6-16(13)17/h3-9,18H,10-11H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.3152 kcal/mol

Physical Properties
Molecular Weight: 383.229 g/mol	logS: -3.98556	SlogP: 4.131	Reactive groups: 0

Topological Properties
Globularity: 0.0966974	Sterimol/B1: 2.92459	Sterimol/B2: 3.28841	Sterimol/B3: 4.54765
Sterimol/B4: 7.06993	Sterimol/L: 14.9145

Surface and Volume Properties
Accessible surface: 559.02	Positive charged surface: 352.897	Negative charged surface: 206.123	Volume: 300.375
Hydrophobic surface: 519.012	Hydrophilic surface: 40.008

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs02376166
NCID-ZINC01870468