MMsINC Database Search


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MMsINC code: MMs01172257

Type: Neutral
Formula: C₂₆H₂₄FN₃O

SMILES:

Fc1ccccc1-c1nn(-c2ccc(cc2C)C)c(c1)C(=O)Nc1cc(C)c(cc1)C

InChI:

InChI=1/C26H24FN3O/c1-16-9-12-24(19(4)13-16)30-25(15-23(29-30)21-7-5-6-8-22(21)27)26(31)28-20-11-10-17(2)18(3)14-20/h5-15H,1-4H3,(H,28,31)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.471 kcal/mol

Physical Properties
Molecular Weight: 413.496 g/mol	logS: -7.93409	SlogP: 6.16438	Reactive groups: 0

Topological Properties
Globularity: 0.0424833	Sterimol/B1: 2.37502	Sterimol/B2: 3.17791	Sterimol/B3: 4.41442
Sterimol/B4: 10.1805	Sterimol/L: 18.6812

Surface and Volume Properties
Accessible surface: 685.915	Positive charged surface: 380.345	Negative charged surface: 305.57	Volume: 406.625
Hydrophobic surface: 642.746	Hydrophilic surface: 43.169

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.