MMsINC Database Search


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MMsINC code: MMs02902541

Type: Ionized
Formula: C₁₁H₇F₆O₂-

SMILES:

FC(F)(F)c1ccc(cc1CCC(=O)[O-])C(F)(F)F

InChI:

InChI=1/C11H8F6O2/c12-10(13,14)7-2-3-8(11(15,16)17)6(5-7)1-4-9(18)19/h2-3,5H,1,4H2,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.0006 kcal/mol

Physical Properties
Molecular Weight: 285.163 g/mol	logS: -3.67122	SlogP: 3.02967	Reactive groups: 0

Topological Properties
Globularity: 0.0934155	Sterimol/B1: 2.85682	Sterimol/B2: 3.14798	Sterimol/B3: 4.30141
Sterimol/B4: 5.05888	Sterimol/L: 12.1801

Surface and Volume Properties
Accessible surface: 419.522	Positive charged surface: 112.092	Negative charged surface: 307.43	Volume: 202.875
Hydrophobic surface: 139.479	Hydrophilic surface: 280.043

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 2	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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Parent related molecule:

MMs02902540
PUBCHEM-ZINC02569908