MMsINC Database Search


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MMsINC code: MMs01204912

Type: Neutral
Formula: C₂₂H₂₃FN₂O

SMILES:

Fc1ccc(NC(=O)c2n(Cc3cc(ccc3)C)c(C)c(C)c2C)cc1

InChI:

InChI=1/C22H23FN2O/c1-14-6-5-7-18(12-14)13-25-17(4)15(2)16(3)21(25)22(26)24-20-10-8-19(23)9-11-20/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)=113.17 kcal/mol

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

Topological Properties
Globularity: 0.130037	Sterimol/B1: 2.45033	Sterimol/B2: 2.80783	Sterimol/B3: 5.21735
Sterimol/B4: 9.19977	Sterimol/L: 15.0228

Surface and Volume Properties
Accessible surface: 598.175	Positive charged surface: 330.215	Negative charged surface: 267.96	Volume: 351.25
Hydrophobic surface: 556.984	Hydrophilic surface: 41.191

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.