MMsINC Database Search


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MMsINC code: MMs02280155

Type: Neutral
Formula: C₁₀H₁₀F₆O₄

SMILES:

FC(F)(F)C(O)(CC(O)C(O)c1occc1)C(F)(F)F

InChI:

InChI=1/C10H10F6O4/c11-9(12,13)8(19,10(14,15)16)4-5(17)7(18)6-2-1-3-20-6/h1-3,5,7,17-19H,4H2/t5-,7+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.9767 kcal/mol

Physical Properties
Molecular Weight: 308.174 g/mol	logS: -2.87014	SlogP: 2.855	Reactive groups: 0

Topological Properties
Globularity: 0.124589	Sterimol/B1: 2.99303	Sterimol/B2: 3.1243	Sterimol/B3: 3.60465
Sterimol/B4: 4.42696	Sterimol/L: 13.0599

Surface and Volume Properties
Accessible surface: 430.631	Positive charged surface: 152.32	Negative charged surface: 278.311	Volume: 214.125
Hydrophobic surface: 173.455	Hydrophilic surface: 257.176

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.