MMsINC Database Search


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MMsINC code: MMs01622737

Type: Neutral
Formula: C₁₉H₁₆FNO

SMILES:

Fc1cc(ccc1)C(=O)NC(C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C19H16FNO/c1-13(21-19(22)17-7-4-8-18(20)12-17)15-10-9-14-5-2-3-6-16(14)11-15/h2-13H,1H3,(H,21,22)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.3605 kcal/mol

Physical Properties
Molecular Weight: 293.341 g/mol	logS: -5.79898	SlogP: 4.5654	Reactive groups: 0

Topological Properties
Globularity: 0.0673485	Sterimol/B1: 2.13476	Sterimol/B2: 2.30256	Sterimol/B3: 4.99773
Sterimol/B4: 6.96374	Sterimol/L: 16.4209

Surface and Volume Properties
Accessible surface: 545.159	Positive charged surface: 271.053	Negative charged surface: 263.85	Volume: 288.5
Hydrophobic surface: 491.102	Hydrophilic surface: 54.057

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.