MMsINC Database Search


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MMsINC code: MMs01137319

Type: Neutral
Formula: C₂₆H₂₂F₂N₂O

SMILES:

Fc1ccc(cc1)-c1n(c(C)c(c1)C(=O)NCc1ccc(F)cc1)-c1cc(ccc1)C

InChI:

InChI=1/C26H22F2N2O/c1-17-4-3-5-23(14-17)30-18(2)24(15-25(30)20-8-12-22(28)13-9-20)26(31)29-16-19-6-10-21(27)11-7-19/h3-15H,16H2,1-2H3,(H,29,31)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.93 kcal/mol

Physical Properties
Molecular Weight: 416.471 g/mol	logS: -7.23245	SlogP: 6.23574	Reactive groups: 0

Topological Properties
Globularity: 0.0634339	Sterimol/B1: 2.4185	Sterimol/B2: 2.78649	Sterimol/B3: 5.49477
Sterimol/B4: 9.37861	Sterimol/L: 18.33

Surface and Volume Properties
Accessible surface: 699.103	Positive charged surface: 376.399	Negative charged surface: 322.704	Volume: 397.875
Hydrophobic surface: 651.082	Hydrophilic surface: 48.021

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.