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MMsINC code: MMs03198614

Type: Neutral
Formula: C₁₄H₁₀INO₄

SMILES:

Ic1ccccc1C(=O)Nc1ccc(O)cc1C(O)=O

InChI:

InChI=1/C14H10INO4/c15-11-4-2-1-3-9(11)13(18)16-12-6-5-8(17)7-10(12)14(19)20/h1-7,17H,(H,16,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.9833 kcal/mol

Physical Properties
Molecular Weight: 383.141 g/mol	logS: -3.95384	SlogP: 2.9473	Reactive groups: 0

Topological Properties
Globularity: 0.0197375	Sterimol/B1: 2.097	Sterimol/B2: 3.89081	Sterimol/B3: 4.14168
Sterimol/B4: 6.79642	Sterimol/L: 14.7451

Surface and Volume Properties
Accessible surface: 492.545	Positive charged surface: 238.387	Negative charged surface: 254.158	Volume: 261.125
Hydrophobic surface: 343.622	Hydrophilic surface: 148.923

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

MMs03198615
PUBCHEM-ZINC05092309