MMsINC Database Search


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MMsINC code: MMs01206354

Type: Neutral
Formula: C₂₂H₂₃FN₂O

SMILES:

Fc1cc(NC(=O)c2n(Cc3cc(ccc3)C)c(C)c(C)c2C)ccc1

InChI:

InChI=1/C22H23FN2O/c1-14-7-5-8-18(11-14)13-25-17(4)15(2)16(3)21(25)22(26)24-20-10-6-9-19(23)12-20/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)=112.416 kcal/mol

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

Topological Properties
Globularity: 0.13166	Sterimol/B1: 2.45266	Sterimol/B2: 2.80357	Sterimol/B3: 5.21938
Sterimol/B4: 9.20721	Sterimol/L: 14.7489

Surface and Volume Properties
Accessible surface: 598.44	Positive charged surface: 330.772	Negative charged surface: 267.668	Volume: 349.875
Hydrophobic surface: 557.248	Hydrophilic surface: 41.192

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.