MMsINC Database Search


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MMsINC code: MMs01905267

Type: Neutral
Formula: C₁₈H₁₄FNO

SMILES:

Fc1ccc(cc1)C(=O)NCc1c2c(ccc1)cccc2

InChI:

InChI=1/C18H14FNO/c19-16-10-8-14(9-11-16)18(21)20-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11H,12H2,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.7953 kcal/mol

Physical Properties
Molecular Weight: 279.314 g/mol	logS: -5.47177	SlogP: 4.1753	Reactive groups: 0

Topological Properties
Globularity: 0.126309	Sterimol/B1: 2.43307	Sterimol/B2: 3.54888	Sterimol/B3: 4.44048
Sterimol/B4: 7.12616	Sterimol/L: 14.5073

Surface and Volume Properties
Accessible surface: 516.248	Positive charged surface: 253.554	Negative charged surface: 253.039	Volume: 269.5
Hydrophobic surface: 473.3	Hydrophilic surface: 42.948

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.