MMsINC Database Search


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MMsINC code: MMs02639056

Type: Neutral
Formula: C₁₄H₉F₄NO₃

SMILES:

Fc1c(Oc2ccccc2C(OCC)=O)c(F)c(F)nc1F

InChI:

InChI=1/C14H9F4NO3/c1-2-21-14(20)7-5-3-4-6-8(7)22-11-9(15)12(17)19-13(18)10(11)16/h3-6H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.388 kcal/mol

Physical Properties
Molecular Weight: 315.222 g/mol	logS: -4.42083	SlogP: 3.607	Reactive groups: 0

Topological Properties
Globularity: 0.0838693	Sterimol/B1: 2.53083	Sterimol/B2: 3.87383	Sterimol/B3: 3.87984
Sterimol/B4: 6.50615	Sterimol/L: 14.5269

Surface and Volume Properties
Accessible surface: 503.001	Positive charged surface: 245.055	Negative charged surface: 257.946	Volume: 247.125
Hydrophobic surface: 395.902	Hydrophilic surface: 107.099

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.