MMsINC Database Search


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MMsINC code: MMs00779455

Type: Neutral
Formula: C₂₃H₁₈FNO₂

SMILES:

Fc1ccccc1Cn1cc(c2c1cccc2)C(=O)COc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.5086 kcal/mol

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

Topological Properties
Globularity: 0.0511916	Sterimol/B1: 3.69755	Sterimol/B2: 3.73956	Sterimol/B3: 4.51247
Sterimol/B4: 7.74298	Sterimol/L: 17.1181

Surface and Volume Properties
Accessible surface: 624.433	Positive charged surface: 327.541	Negative charged surface: 291.463	Volume: 349.375
Hydrophobic surface: 566.991	Hydrophilic surface: 57.442

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.