MMsINC Database Search


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MMsINC code: MMs02475448

Type: Neutral
Formula: C₆H₁₁IO₅

SMILES:

IC1C(O)C(O)C(O)C(O)C1O

InChI:

InChI=1/C6H11IO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H/t1-,2-,3-,4-,5+,6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.579 kcal/mol

Physical Properties
Molecular Weight: 290.053 g/mol	logS: -0.53495	SlogP: -1.972	Reactive groups: 0

Topological Properties
Globularity: 0.42909	Sterimol/B1: 2.53931	Sterimol/B2: 3.74221	Sterimol/B3: 4.00968
Sterimol/B4: 4.09206	Sterimol/L: 10.3821

Surface and Volume Properties
Accessible surface: 350.761	Positive charged surface: 203.161	Negative charged surface: 147.6	Volume: 169
Hydrophobic surface: 164.257	Hydrophilic surface: 186.504

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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.