MMsINC Database Search


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MMsINC code: MMs01205025

Type: Neutral
Formula: C₂₂H₂₃FN₂O

SMILES:

Fc1ccccc1Cn1c(C(=O)Nc2cc(ccc2)C)c(C)c(C)c1C

InChI:

InChI=1/C22H23FN2O/c1-14-8-7-10-19(12-14)24-22(26)21-16(3)15(2)17(4)25(21)13-18-9-5-6-11-20(18)23/h5-12H,13H2,1-4H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.691 kcal/mol

Physical Properties
Molecular Weight: 350.437 g/mol	logS: -5.01615	SlogP: 5.42788	Reactive groups: 0

Topological Properties
Globularity: 0.158761	Sterimol/B1: 2.15489	Sterimol/B2: 5.31829	Sterimol/B3: 5.81553
Sterimol/B4: 6.51458	Sterimol/L: 14.9932

Surface and Volume Properties
Accessible surface: 597.464	Positive charged surface: 353.068	Negative charged surface: 244.396	Volume: 351.75
Hydrophobic surface: 559.289	Hydrophilic surface: 38.175

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.