MMsINC Database Search


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MMsINC code: MMs00838425

Type: Ionized
Formula: C₁₄H₇F₄O₂-

SMILES:

Fc1c(-c2ccc(cc2)C)c(C(=O)[O-])c(F)c(F)c1F

InChI:

InChI=1/C14H8F4O2/c1-6-2-4-7(5-3-6)8-9(14(19)20)11(16)13(18)12(17)10(8)15/h2-5H,1H3,(H,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.4255 kcal/mol

Physical Properties
Molecular Weight: 283.2 g/mol	logS: -5.69495	SlogP: 2.58192	Reactive groups: 0

Topological Properties
Globularity: 0.0801921	Sterimol/B1: 3.01328	Sterimol/B2: 3.76868	Sterimol/B3: 4.09698
Sterimol/B4: 4.929	Sterimol/L: 13.4204

Surface and Volume Properties
Accessible surface: 446.964	Positive charged surface: 176.736	Negative charged surface: 268.577	Volume: 220.75
Hydrophobic surface: 374.499	Hydrophilic surface: 72.465

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

search links for this molecule:

Parent related molecule:

MMs00838424
CHEMDIV-ZINC00201061