MMsINC Database Search


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MMsINC code: MMs00487312

Type: Neutral
Formula: C₂₁H₁₈FNO

SMILES:

Fc1ccccc1CNC(=O)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C21H18FNO/c22-19-14-8-7-13-18(19)15-23-21(24)20(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,20H,15H2,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.8889 kcal/mol

Physical Properties
Molecular Weight: 319.379 g/mol	logS: -5.29782	SlogP: 4.5404	Reactive groups: 0

Topological Properties
Globularity: 0.125023	Sterimol/B1: 2.54595	Sterimol/B2: 3.80719	Sterimol/B3: 4.04043
Sterimol/B4: 8.14502	Sterimol/L: 16.1059

Surface and Volume Properties
Accessible surface: 579.18	Positive charged surface: 321.918	Negative charged surface: 257.262	Volume: 316
Hydrophobic surface: 543.557	Hydrophilic surface: 35.623

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.