MMsINC Database Search


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MMsINC code: MMs00601969

Type: Neutral
Formula: C₁₆H₁₂FNO₂

SMILES:

Fc1cc2c(cc1)C(=O)N(c1ccc(cc1C)C)C2=O

InChI:

InChI=1/C16H12FNO2/c1-9-3-6-14(10(2)7-9)18-15(19)12-5-4-11(17)8-13(12)16(18)20/h3-8H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.6273 kcal/mol

Physical Properties
Molecular Weight: 269.275 g/mol	logS: -4.68796	SlogP: 3.24314	Reactive groups: 0

Topological Properties
Globularity: 0.0950263	Sterimol/B1: 3.58585	Sterimol/B2: 3.97868	Sterimol/B3: 4.01608
Sterimol/B4: 4.82204	Sterimol/L: 14.8971

Surface and Volume Properties
Accessible surface: 479.611	Positive charged surface: 239.02	Negative charged surface: 240.591	Volume: 250
Hydrophobic surface: 412.56	Hydrophilic surface: 67.051

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.