MMsINC Database Search


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MMsINC code: MMs01207190

Type: Neutral
Formula: C₂₂H₂₃FN₂O

SMILES:

Fc1ccccc1Cn1c(C(=O)N(Cc2ccccc2)C)c(cc1C)C

InChI:

InChI=1/C22H23FN2O/c1-16-13-17(2)25(15-19-11-7-8-12-20(19)23)21(16)22(26)24(3)14-18-9-5-4-6-10-18/h4-13H,14-15H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.8724 kcal/mol

Physical Properties
Molecular Weight: 350.437 g/mol	logS: -4.21981	SlogP: 5.09734	Reactive groups: 0

Topological Properties
Globularity: 0.156009	Sterimol/B1: 2.33695	Sterimol/B2: 3.06174	Sterimol/B3: 6.09836
Sterimol/B4: 7.80738	Sterimol/L: 15.8451

Surface and Volume Properties
Accessible surface: 586.688	Positive charged surface: 362.088	Negative charged surface: 224.6	Volume: 355.375
Hydrophobic surface: 554.833	Hydrophilic surface: 31.855

Pharmacophoric Properties
Hydrogen bond donors: 0	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.