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MMsINC code: MMs03260469

Type: Neutral
Formula: C₁₂H₂₁FO₁₀

SMILES:

FC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

InChI:

InChI=1/C12H21FO10/c13-11-8(19)7(18)10(4(2-15)21-11)23-12-9(20)6(17)5(16)3(1-14)22-12/h3-12,14-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.964 kcal/mol

Physical Properties
Molecular Weight: 344.288 g/mol	logS: 1.01649	SlogP: -4.0001	Reactive groups: 0

Topological Properties
Globularity: 0.187812	Sterimol/B1: 2.3524	Sterimol/B2: 3.32424	Sterimol/B3: 5.27497
Sterimol/B4: 6.80069	Sterimol/L: 13.0704

Surface and Volume Properties
Accessible surface: 510.759	Positive charged surface: 375.861	Negative charged surface: 134.898	Volume: 272.75
Hydrophobic surface: 170.054	Hydrophilic surface: 340.705

Pharmacophoric Properties
Hydrogen bond donors: 7	Hydrogen bond acceptors: 10	Acid groups: 0	Basic groups: 0
Chiral centers: 10

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules

MMs03260470
PUBCHEM-ZINC05411431