MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00593545

Type: Neutral
Formula: C₁₉H₁₄FNO

SMILES:

Fc1ccccc1C(=O)Nc1c2c3c(CCc3ccc2)cc1

InChI:

InChI=1/C19H14FNO/c20-16-7-2-1-5-14(16)19(22)21-17-11-10-13-9-8-12-4-3-6-15(17)18(12)13/h1-7,10-11H,8-9H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.125 kcal/mol

Physical Properties
Molecular Weight: 291.325 g/mol	logS: -6.37353	SlogP: 4.32974	Reactive groups: 0

Topological Properties
Globularity: 0.015457	Sterimol/B1: 2.11061	Sterimol/B2: 3.031	Sterimol/B3: 3.91392
Sterimol/B4: 6.06523	Sterimol/L: 15.7049

Surface and Volume Properties
Accessible surface: 511.104	Positive charged surface: 275.331	Negative charged surface: 224.6	Volume: 274.125
Hydrophobic surface: 482.765	Hydrophilic surface: 28.339

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.