MMsINC Database Search


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MMsINC code: MMs02122668

Type: Neutral
Formula: C₁₉H₁₈FNO

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccc(cc1)C#CCCCC

InChI:

InChI=1/C19H18FNO/c1-2-3-4-5-6-15-7-13-18(14-8-15)21-19(22)16-9-11-17(20)12-10-16/h7-14H,2-4H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.8709 kcal/mol

Physical Properties
Molecular Weight: 295.357 g/mol	logS: -6.41812	SlogP: 4.61971	Reactive groups: 0

Topological Properties
Globularity: 0.0096671	Sterimol/B1: 2.50287	Sterimol/B2: 2.50668	Sterimol/B3: 3.07161
Sterimol/B4: 5.99773	Sterimol/L: 21.2552

Surface and Volume Properties
Accessible surface: 599.749	Positive charged surface: 350.928	Negative charged surface: 248.821	Volume: 301.125
Hydrophobic surface: 523.892	Hydrophilic surface: 75.857

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.