MMsINC Database Search


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MMsINC code: MMs00245544

Type: Neutral
Formula: C₂₆H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)N(CC1=Cc2cc(ccc2NC1=O)CC)Cc1ccccc1

InChI:

InChI=1/C26H23FN2O2/c1-2-18-8-13-24-21(14-18)15-22(25(30)28-24)17-29(16-19-6-4-3-5-7-19)26(31)20-9-11-23(27)12-10-20/h3-15H,2,16-17H2,1H3,(H,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.192 kcal/mol

Physical Properties
Molecular Weight: 414.48 g/mol	logS: -7.11128	SlogP: 5.33257	Reactive groups: 0

Topological Properties
Globularity: 0.0834323	Sterimol/B1: 2.27179	Sterimol/B2: 4.9751	Sterimol/B3: 5.4679
Sterimol/B4: 7.24652	Sterimol/L: 17.1452

Surface and Volume Properties
Accessible surface: 685.426	Positive charged surface: 383.544	Negative charged surface: 301.882	Volume: 400.375
Hydrophobic surface: 581.667	Hydrophilic surface: 103.759

Pharmacophoric Properties
Hydrogen bond donors: 1	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.