MMsINC Database Search


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MMsINC code: MMs03255711

Type: Neutral
Formula: C₁₀H₇I₂NO

SMILES:

Ic1cc(I)c2c(nc(cc2)C)c1O

InChI:

InChI=1/C10H7I2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.1575 kcal/mol

Physical Properties
Molecular Weight: 410.98 g/mol	logS: -3.9079	SlogP: 3.45802	Reactive groups: 0

Topological Properties
Globularity: 0.0166651	Sterimol/B1: 2.50813	Sterimol/B2: 2.5147	Sterimol/B3: 3.64615
Sterimol/B4: 6.67654	Sterimol/L: 12.2471

Surface and Volume Properties
Accessible surface: 434.795	Positive charged surface: 155.737	Negative charged surface: 273.465	Volume: 221.125
Hydrophobic surface: 380.003	Hydrophilic surface: 54.792

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.