MMsINC Database Search


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MMsINC code: MMs01160184

Type: Neutral
Formula: C₂₆H₂₃FN₂O

SMILES:

Fc1ccc(-n2c(cc(C(=O)NCCc3ccccc3)c2C)-c2ccccc2)cc1

InChI:

InChI=1/C26H23FN2O/c1-19-24(26(30)28-17-16-20-8-4-2-5-9-20)18-25(21-10-6-3-7-11-21)29(19)23-14-12-22(27)13-15-23/h2-15,18H,16-17H2,1H3,(H,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.916 kcal/mol

Physical Properties
Molecular Weight: 398.481 g/mol	logS: -6.52502	SlogP: 5.56429	Reactive groups: 0

Topological Properties
Globularity: 0.0402749	Sterimol/B1: 1.969	Sterimol/B2: 3.39287	Sterimol/B3: 3.87405
Sterimol/B4: 9.5188	Sterimol/L: 20.1558

Surface and Volume Properties
Accessible surface: 689.258	Positive charged surface: 382.856	Negative charged surface: 306.402	Volume: 397.25
Hydrophobic surface: 645.039	Hydrophilic surface: 44.219

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.