MMsINC Database Search


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MMsINC code: MMs02094714

Type: Neutral
Formula: C₂₁H₁₆FNO₂

SMILES:

Fc1ccc(cc1)C(C(=O)N)c1ccc(cc1)C(=O)c1ccccc1

InChI:

InChI=1/C21H16FNO2/c22-18-12-10-15(11-13-18)19(21(23)25)14-6-8-17(9-7-14)20(24)16-4-2-1-3-5-16/h1-13,19H,(H2,23,25)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.721 kcal/mol

Physical Properties
Molecular Weight: 333.362 g/mol	logS: -5.70872	SlogP: 3.6739	Reactive groups: 0

Topological Properties
Globularity: 0.15161	Sterimol/B1: 3.42628	Sterimol/B2: 4.44016	Sterimol/B3: 4.46431
Sterimol/B4: 6.10655	Sterimol/L: 15.4566

Surface and Volume Properties
Accessible surface: 567.544	Positive charged surface: 298.072	Negative charged surface: 269.472	Volume: 315.25
Hydrophobic surface: 442.766	Hydrophilic surface: 124.778

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

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Ions/Tautomers related molecules: no related molecules available.