MMsINC Database Search


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MMsINC code: MMs00487297

Type: Neutral
Formula: C₁₉H₁₆FNO

SMILES:

Fc1c2c(cccc2)c(cc1)C(=O)NCCc1ccccc1

InChI:

InChI=1/C19H16FNO/c20-18-11-10-17(15-8-4-5-9-16(15)18)19(22)21-13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.1524 kcal/mol

Physical Properties
Molecular Weight: 293.341 g/mol	logS: -5.53324	SlogP: 3.95137	Reactive groups: 0

Topological Properties
Globularity: 0.0377116	Sterimol/B1: 3.59566	Sterimol/B2: 3.69302	Sterimol/B3: 4.21806
Sterimol/B4: 5.82532	Sterimol/L: 17.2501

Surface and Volume Properties
Accessible surface: 550.229	Positive charged surface: 289.717	Negative charged surface: 248.022	Volume: 289.375
Hydrophobic surface: 516.725	Hydrophilic surface: 33.504

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.