MMsINC Database Search


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MMsINC code: MMs01616661

Type: Neutral
Formula: C₂₀H₁₆FNO

SMILES:

Fc1ccc(cc1)CNC(=O)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C20H16FNO/c21-19-12-6-15(7-13-19)14-22-20(23)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-13H,14H2,(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9928 kcal/mol

Physical Properties
Molecular Weight: 305.352 g/mol	logS: -6.02027	SlogP: 4.6891	Reactive groups: 0

Topological Properties
Globularity: 0.0311871	Sterimol/B1: 3.42091	Sterimol/B2: 3.61872	Sterimol/B3: 3.62054
Sterimol/B4: 6.01847	Sterimol/L: 17.9951

Surface and Volume Properties
Accessible surface: 571.492	Positive charged surface: 275.564	Negative charged surface: 284.856	Volume: 299.5
Hydrophobic surface: 525.003	Hydrophilic surface: 46.489

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.