MMsINC Database Search


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MMsINC code: MMs02097262

Type: Neutral
Formula: C₁₅H₇F₅N₂O

SMILES:

Fc1cc(F)ccc1Oc1nc(nc2c1cccc2)C(F)(F)F

InChI:

InChI=1/C15H7F5N2O/c16-8-5-6-12(10(17)7-8)23-13-9-3-1-2-4-11(9)21-14(22-13)15(18,19)20/h1-7H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.8027 kcal/mol

Physical Properties
Molecular Weight: 326.224 g/mol	logS: -5.70672	SlogP: 5.0306	Reactive groups: 0

Topological Properties
Globularity: 0.0929762	Sterimol/B1: 2.48113	Sterimol/B2: 3.71443	Sterimol/B3: 3.83984
Sterimol/B4: 7.5764	Sterimol/L: 14.4095

Surface and Volume Properties
Accessible surface: 494.439	Positive charged surface: 194.69	Negative charged surface: 293.918	Volume: 247.625
Hydrophobic surface: 358.933	Hydrophilic surface: 135.506

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.