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MMsINC code: MMs03067458

Type: Neutral
Formula: C₁₇H₁₁F₄NO₂

SMILES:

Fc1c2[nH]c(-c3ccccc3C(F)(F)F)c(c2ccc1)CC(O)=O

InChI:

InChI=1/C17H11F4NO2/c18-13-7-3-5-9-11(8-14(23)24)15(22-16(9)13)10-4-1-2-6-12(10)17(19,20)21/h1-7,22H,8H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.0321 kcal/mol

Physical Properties
Molecular Weight: 337.272 g/mol	logS: -5.45236	SlogP: 4.93137	Reactive groups: 0

Topological Properties
Globularity: 0.142831	Sterimol/B1: 2.14397	Sterimol/B2: 4.99283	Sterimol/B3: 5.20403
Sterimol/B4: 5.57393	Sterimol/L: 13.804

Surface and Volume Properties
Accessible surface: 500.569	Positive charged surface: 228.846	Negative charged surface: 269.254	Volume: 273.125
Hydrophobic surface: 325.776	Hydrophilic surface: 174.793

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs03067459
PUBCHEM-ZINC03742549