MMsINC Database Search


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MMsINC code: MMs01862295

Type: Neutral
Formula: C₂₃H₁₉FN₂O

SMILES:

Fc1ccccc1-c1nc(Oc2cc(ccc2)C(C)C)c2c(n1)cccc2

InChI:

InChI=1/C23H19FN2O/c1-15(2)16-8-7-9-17(14-16)27-23-19-11-4-6-13-21(19)25-22(26-23)18-10-3-5-12-20(18)24/h3-15H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.3732 kcal/mol

Physical Properties
Molecular Weight: 358.416 g/mol	logS: -8.71339	SlogP: 6.3516	Reactive groups: 0

Topological Properties
Globularity: 0.0811919	Sterimol/B1: 2.21147	Sterimol/B2: 5.95087	Sterimol/B3: 6.64454
Sterimol/B4: 7.34554	Sterimol/L: 15.3243

Surface and Volume Properties
Accessible surface: 626.187	Positive charged surface: 358.895	Negative charged surface: 255.951	Volume: 350.5
Hydrophobic surface: 555.902	Hydrophilic surface: 70.285

Pharmacophoric Properties
Hydrogen bond donors: 0	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.