MMsINC Database Search


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MMsINC code: MMs03782266

Type: Neutral
Formula: C₁₀H₁₁F₂IO₃

SMILES:

Ic1cc(COC(CO)CO)c(F)cc1F

InChI:

InChI=1/C10H11F2IO3/c11-8-2-9(12)10(13)1-6(8)5-16-7(3-14)4-15/h1-2,7,14-15H,3-5H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.4164 kcal/mol

Physical Properties
Molecular Weight: 344.095 g/mol	logS: -2.67748	SlogP: 1.7056	Reactive groups: 0

Topological Properties
Globularity: 0.10787	Sterimol/B1: 3.52699	Sterimol/B2: 3.88805	Sterimol/B3: 4.97005
Sterimol/B4: 4.99953	Sterimol/L: 12.2712

Surface and Volume Properties
Accessible surface: 464.236	Positive charged surface: 252.559	Negative charged surface: 211.677	Volume: 220.75
Hydrophobic surface: 375.076	Hydrophilic surface: 89.16

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.