MMsINC Database Search


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MMsINC code: MMs01159574

Type: Neutral
Formula: C₂₆H₂₃FN₂O₂

SMILES:

Fc1ccccc1-n1c(cc(C(=O)NCc2ccccc2)c1C)-c1ccc(OC)cc1

InChI:

InChI=1/C26H23FN2O2/c1-18-22(26(30)28-17-19-8-4-3-5-9-19)16-25(20-12-14-21(31-2)15-13-20)29(18)24-11-7-6-10-23(24)27/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)=122.394 kcal/mol

Physical Properties
Molecular Weight: 414.48 g/mol	logS: -6.51393	SlogP: 5.79682	Reactive groups: 0

Topological Properties
Globularity: 0.0577472	Sterimol/B1: 1.969	Sterimol/B2: 3.54943	Sterimol/B3: 3.95344
Sterimol/B4: 11.6658	Sterimol/L: 17.273

Surface and Volume Properties
Accessible surface: 707.087	Positive charged surface: 420.936	Negative charged surface: 286.151	Volume: 404.625
Hydrophobic surface: 651.7	Hydrophilic surface: 55.387

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.