MMsINC Database Search


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MMsINC code: MMs02313376

Type: Neutral
Formula: C₁₄H₄F₆O₄

SMILES:

Fc1c(-c2c(F)c(F)c(cc2F)C(O)=O)c(F)cc(C(O)=O)c1F

InChI:

InChI=1/C14H4F6O4/c15-5-1-3(13(21)22)9(17)11(19)7(5)8-6(16)2-4(14(23)24)10(18)12(8)20/h1-2H,(H,21,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.4081 kcal/mol

Physical Properties
Molecular Weight: 350.17 g/mol	logS: -5.51994	SlogP: 3.5846	Reactive groups: 0

Topological Properties
Globularity: 0.0813614	Sterimol/B1: 2.33205	Sterimol/B2: 2.49188	Sterimol/B3: 4.04013
Sterimol/B4: 4.0659	Sterimol/L: 15.9168

Surface and Volume Properties
Accessible surface: 473.472	Positive charged surface: 191.282	Negative charged surface: 282.191	Volume: 239.625
Hydrophobic surface: 287.571	Hydrophilic surface: 185.901

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	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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Ions/Tautomers related molecules

MMs02313377
NCID-ZINC01678675