MMsINC Database Search


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MMsINC code: MMs00014638

Type: Ionized
Formula: C₁₁H₉F₃NO₃-

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)/p-1/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.4388 kcal/mol

Physical Properties
Molecular Weight: 260.191 g/mol	logS: -2.93176	SlogP: 0.44597	Reactive groups: 0

Topological Properties
Globularity: 0.216354	Sterimol/B1: 3.44441	Sterimol/B2: 3.67019	Sterimol/B3: 4.48872
Sterimol/B4: 5.63889	Sterimol/L: 11.0945

Surface and Volume Properties
Accessible surface: 421.629	Positive charged surface: 164.528	Negative charged surface: 257.101	Volume: 211
Hydrophobic surface: 204.499	Hydrophilic surface: 217.13

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	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:

Parent related molecule:

MMs00014637
ACROSORGANICS-ZINC02570091