MMsINC Database Search


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MMsINC code: MMs02475444

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+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.7973 kcal/mol

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

Topological Properties
Globularity: 0.494608	Sterimol/B1: 2.41385	Sterimol/B2: 3.20349	Sterimol/B3: 3.75597
Sterimol/B4: 6.8304	Sterimol/L: 8.51002

Surface and Volume Properties
Accessible surface: 347.678	Positive charged surface: 202.976	Negative charged surface: 144.701	Volume: 171.125
Hydrophobic surface: 164.962	Hydrophilic surface: 182.716

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.