MMsINC Database Search


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MMsINC code: MMs00635930

Type: Neutral
Formula: C₂₂H₂₀FNO

SMILES:

Fc1ccc(cc1)C(=O)NC(c1cc(ccc1C)C)c1ccccc1

InChI:

InChI=1/C22H20FNO/c1-15-8-9-16(2)20(14-15)21(17-6-4-3-5-7-17)24-22(25)18-10-12-19(23)13-11-18/h3-14,21H,1-2H3,(H,24,25)/t21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.6762 kcal/mol

Physical Properties
Molecular Weight: 333.406 g/mol	logS: -6.30963	SlogP: 5.05744	Reactive groups: 0

Topological Properties
Globularity: 0.217461	Sterimol/B1: 2.24896	Sterimol/B2: 3.81723	Sterimol/B3: 5.66469
Sterimol/B4: 10.0143	Sterimol/L: 14.5872

Surface and Volume Properties
Accessible surface: 594.495	Positive charged surface: 309.331	Negative charged surface: 285.165	Volume: 335.25
Hydrophobic surface: 566.074	Hydrophilic surface: 28.421

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.