MMsINC Database Search


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MMsINC code: MMs02406732

Type: Neutral
Formula: C₁₁H₁₇FO₇

SMILES:

FCC(OC1C2OC(OC2OC(CO)C1O)(C)C)=O

InChI:

InChI=1/C11H17FO7/c1-11(2)18-9-8(17-6(14)3-12)7(15)5(4-13)16-10(9)19-11/h5,7-10,13,15H,3-4H2,1-2H3/t5-,7+,8+,9+,10+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.091 kcal/mol

Physical Properties
Molecular Weight: 280.248 g/mol	logS: -1.23403	SlogP: -0.9027	Reactive groups: 1

Topological Properties
Globularity: 0.198441	Sterimol/B1: 2.03428	Sterimol/B2: 3.56132	Sterimol/B3: 4.07206
Sterimol/B4: 9.05841	Sterimol/L: 12.5203

Surface and Volume Properties
Accessible surface: 468.553	Positive charged surface: 320.795	Negative charged surface: 147.758	Volume: 234.375
Hydrophobic surface: 230.898	Hydrophilic surface: 237.655

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 5

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.