MMsINC Database Search


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MMsINC code: MMs01484667

Type: Neutral
Formula: C₁₇H₁₂FNO₂

SMILES:

Fc1ccccc1COC(=O)c1nc2c(cc1)cccc2

InChI:

InChI=1/C17H12FNO2/c18-14-7-3-1-6-13(14)11-21-17(20)16-10-9-12-5-2-4-8-15(12)19-16/h1-10H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.5658 kcal/mol

Physical Properties
Molecular Weight: 281.286 g/mol	logS: -4.57095	SlogP: 3.9973	Reactive groups: 0

Topological Properties
Globularity: 0.00302378	Sterimol/B1: 2.37413	Sterimol/B2: 2.37598	Sterimol/B3: 3.42452
Sterimol/B4: 6.239	Sterimol/L: 16.143

Surface and Volume Properties
Accessible surface: 514.176	Positive charged surface: 258.407	Negative charged surface: 250.234	Volume: 261.25
Hydrophobic surface: 451.544	Hydrophilic surface: 62.632

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.