MMsINC Database Search


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MMsINC code: MMs02696572

Type: Neutral
Formula: C₁₇H₁₆FNO

SMILES:

Fc1ccc(cc1)\C=C\C(=O)N(Cc1ccccc1)C

InChI:

InChI=1/C17H16FNO/c1-19(13-15-5-3-2-4-6-15)17(20)12-9-14-7-10-16(18)11-8-14/h2-12H,13H2,1H3/b12-9+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.804 kcal/mol

Physical Properties
Molecular Weight: 269.319 g/mol	logS: -3.99372	SlogP: 3.7639	Reactive groups: 0

Topological Properties
Globularity: 0.0805952	Sterimol/B1: 2.19895	Sterimol/B2: 3.52236	Sterimol/B3: 4.10366
Sterimol/B4: 6.70247	Sterimol/L: 15.7193

Surface and Volume Properties
Accessible surface: 519.67	Positive charged surface: 291.049	Negative charged surface: 228.621	Volume: 272.375
Hydrophobic surface: 485.807	Hydrophilic surface: 33.863

Pharmacophoric Properties
Hydrogen bond donors: 0	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.