MMsINC Database Search


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MMsINC code: MMs01152454

Type: Neutral
Formula: C₂₆H₂₃FN₂O

SMILES:

Fc1ccc(cc1)-c1n(c(C)c(c1)C(=O)NCc1ccccc1)-c1cc(ccc1)C

InChI:

InChI=1/C26H23FN2O/c1-18-7-6-10-23(15-18)29-19(2)24(16-25(29)21-11-13-22(27)14-12-21)26(30)28-17-20-8-4-3-5-9-20/h3-16H,17H2,1-2H3,(H,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.556 kcal/mol

Physical Properties
Molecular Weight: 398.481 g/mol	logS: -6.93747	SlogP: 6.09664	Reactive groups: 0

Topological Properties
Globularity: 0.0635816	Sterimol/B1: 2.42479	Sterimol/B2: 2.77458	Sterimol/B3: 5.49288
Sterimol/B4: 9.38541	Sterimol/L: 18.1045

Surface and Volume Properties
Accessible surface: 692.559	Positive charged surface: 387.975	Negative charged surface: 304.584	Volume: 397.625
Hydrophobic surface: 644.537	Hydrophilic surface: 48.022

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.