MMsINC Database Search


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MMsINC code: MMs00836806

Type: Neutral
Formula: C₁₄H₈F₄O₂

SMILES:

Fc1c(Cc2ccccc2)c(C(O)=O)c(F)c(F)c1F

InChI:

InChI=1/C14H8F4O2/c15-10-8(6-7-4-2-1-3-5-7)9(14(19)20)11(16)13(18)12(10)17/h1-5H,6H2,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.6511 kcal/mol

Physical Properties
Molecular Weight: 284.208 g/mol	logS: -4.33713	SlogP: 3.53197	Reactive groups: 0

Topological Properties
Globularity: 0.165136	Sterimol/B1: 2.28759	Sterimol/B2: 4.21374	Sterimol/B3: 4.6466
Sterimol/B4: 5.12982	Sterimol/L: 11.9407

Surface and Volume Properties
Accessible surface: 433.013	Positive charged surface: 185.861	Negative charged surface: 247.153	Volume: 223
Hydrophobic surface: 361.407	Hydrophilic surface: 71.606

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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

MMs00836807
CHEMDIV-ZINC00186880