MMsINC Database Search


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MMsINC code: MMs00732858

Type: Neutral
Formula: C₂₃H₁₈FNO₂

SMILES:

Fc1ccccc1C(=O)c1c2c(n(c1)CCOc1ccccc1)cccc2

InChI:

InChI=1/C23H18FNO2/c24-21-12-6-4-11-19(21)23(26)20-16-25(22-13-7-5-10-18(20)22)14-15-27-17-8-2-1-3-9-17/h1-13,16H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.3028 kcal/mol

Physical Properties
Molecular Weight: 359.4 g/mol	logS: -5.7813	SlogP: 5.3568	Reactive groups: 0

Topological Properties
Globularity: 0.104156	Sterimol/B1: 3.16274	Sterimol/B2: 4.33095	Sterimol/B3: 4.79576
Sterimol/B4: 8.66081	Sterimol/L: 15.8787

Surface and Volume Properties
Accessible surface: 634.661	Positive charged surface: 334.503	Negative charged surface: 295.346	Volume: 348.875
Hydrophobic surface: 592.607	Hydrophilic surface: 42.054

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.