MMsINC Database Search


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MMsINC code: MMs02355480

Type: Neutral
Formula: C₁₁H₁₀F₃NO₃

SMILES:

FC(F)(F)C(=O)NC(Cc1ccccc1)C(O)=O

InChI:

InChI=1/C11H10F3NO3/c12-11(13,14)10(18)15-8(9(16)17)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,15,18)(H,16,17)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.2109 kcal/mol

Physical Properties
Molecular Weight: 261.199 g/mol	logS: -2.67131	SlogP: 1.78067	Reactive groups: 0

Topological Properties
Globularity: 0.162125	Sterimol/B1: 3.33986	Sterimol/B2: 3.54982	Sterimol/B3: 4.27255
Sterimol/B4: 5.4508	Sterimol/L: 11.1404

Surface and Volume Properties
Accessible surface: 433.227	Positive charged surface: 184.813	Negative charged surface: 248.415	Volume: 210.5
Hydrophobic surface: 208.748	Hydrophilic surface: 224.479

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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:

Ions/Tautomers related molecules

MMs02355481
NCID-ZINC01732854