MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03404912

Type: Neutral
Formula: C₁₂H₂₁FO₁₀

SMILES:

FC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC1O)CO

InChI:

InChI=1/C12H21FO10/c13-5-7(17)10(4(2-15)21-11(5)20)23-12-9(19)8(18)6(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)=124.085 kcal/mol

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

Topological Properties
Globularity: 0.0802582	Sterimol/B1: 3.04967	Sterimol/B2: 3.08742	Sterimol/B3: 3.4024
Sterimol/B4: 7.41728	Sterimol/L: 13.3666

Surface and Volume Properties
Accessible surface: 520.991	Positive charged surface: 390.737	Negative charged surface: 130.254	Volume: 275.375
Hydrophobic surface: 202.305	Hydrophilic surface: 318.686

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.