MMsINC Database Search


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MMsINC code: MMs00487298

Type: Neutral
Formula: C₁₈H₁₄FNO

SMILES:

Fc1ccccc1C(=O)NCc1c2c(ccc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.8365 kcal/mol

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

Topological Properties
Globularity: 0.127913	Sterimol/B1: 2.43076	Sterimol/B2: 3.50881	Sterimol/B3: 4.48749
Sterimol/B4: 7.11619	Sterimol/L: 14.5263

Surface and Volume Properties
Accessible surface: 515.238	Positive charged surface: 259.731	Negative charged surface: 245.851	Volume: 270.625
Hydrophobic surface: 474.425	Hydrophilic surface: 40.813

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.