MMsINC Database Search


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MMsINC code: MMs00669809

Type: Neutral
Formula: C₂₃H₂₁FN₂O₂

SMILES:

Fc1ccc(cc1)CC(=O)Nc1ccccc1C(=O)Nc1ccc(cc1)CC

InChI:

InChI=1/C23H21FN2O2/c1-2-16-9-13-19(14-10-16)25-23(28)20-5-3-4-6-21(20)26-22(27)15-17-7-11-18(24)12-8-17/h3-14H,2,15H2,1H3,(H,25,28)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.039 kcal/mol

Physical Properties
Molecular Weight: 376.431 g/mol	logS: -6.67045	SlogP: 4.82154	Reactive groups: 0

Topological Properties
Globularity: 0.0377213	Sterimol/B1: 2.20952	Sterimol/B2: 2.79906	Sterimol/B3: 4.5631
Sterimol/B4: 9.95702	Sterimol/L: 18.8935

Surface and Volume Properties
Accessible surface: 670.678	Positive charged surface: 391.803	Negative charged surface: 278.875	Volume: 364.625
Hydrophobic surface: 592.374	Hydrophilic surface: 78.304

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

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Ions/Tautomers related molecules: no related molecules available.