MMsINC Database Search


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MMsINC code: MMs01137555

Type: Neutral
Formula: C₂₆H₂₃FN₂O₂

SMILES:

Fc1ccc(NC(=O)c2cc(n(c2C)-c2ccc(cc2)C)-c2ccc(OC)cc2)cc1

InChI:

InChI=1/C26H23FN2O2/c1-17-4-12-22(13-5-17)29-18(2)24(26(30)28-21-10-8-20(27)9-11-21)16-25(29)19-6-14-23(31-3)15-7-19/h4-16H,1-3H3,(H,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.73 kcal/mol

Physical Properties
Molecular Weight: 414.48 g/mol	logS: -7.04381	SlogP: 6.16114	Reactive groups: 0

Topological Properties
Globularity: 0.0370083	Sterimol/B1: 2.39696	Sterimol/B2: 3.38429	Sterimol/B3: 3.54592
Sterimol/B4: 11.3238	Sterimol/L: 18.5105

Surface and Volume Properties
Accessible surface: 699.347	Positive charged surface: 418.983	Negative charged surface: 280.364	Volume: 405.875
Hydrophobic surface: 649.33	Hydrophilic surface: 50.017

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.