MMsINC Database Search


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MMsINC code: MMs00007816

Type: Neutral
Formula: C₇H₇IO

SMILES:

Ic1cc(ccc1)CO

InChI:

InChI=1/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.7551 kcal/mol

Physical Properties
Molecular Weight: 234.036 g/mol	logS: -2.14742	SlogP: 2.0499	Reactive groups: 0

Topological Properties
Globularity: 0.0540634	Sterimol/B1: 2.37708	Sterimol/B2: 2.46407	Sterimol/B3: 2.73621
Sterimol/B4: 6.45701	Sterimol/L: 10.0844

Surface and Volume Properties
Accessible surface: 337.522	Positive charged surface: 152.284	Negative charged surface: 185.238	Volume: 149
Hydrophobic surface: 273.741	Hydrophilic surface: 63.781

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.