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MMsINC code: MMs02415219

Type: Neutral
Formula: C₁₆H₁₄I₂N₂O₃

SMILES:

Ic1cc(cc(I)c1O)CC(NC(=O)c1ccccc1)C(=O)N

InChI:

InChI=1/C16H14I2N2O3/c17-11-6-9(7-12(18)14(11)21)8-13(15(19)22)20-16(23)10-4-2-1-3-5-10/h1-7,13,21H,8H2,(H2,19,22)(H,20,23)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.3774 kcal/mol

Physical Properties
Molecular Weight: 536.107 g/mol	logS: -5.26003	SlogP: 2.42777	Reactive groups: 0

Topological Properties
Globularity: 0.149	Sterimol/B1: 3.81958	Sterimol/B2: 4.89951	Sterimol/B3: 5.28709
Sterimol/B4: 7.57546	Sterimol/L: 14.5762

Surface and Volume Properties
Accessible surface: 596.027	Positive charged surface: 239.648	Negative charged surface: 356.379	Volume: 334.75
Hydrophobic surface: 437.636	Hydrophilic surface: 158.391

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.