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MMsINC code: MMs02168775

Type: Neutral
Formula: C₂₃H₂₃FN₂O

SMILES:

Fc1cc2c(cc(cc2)CN2CCC(NC(=O)c3ccccc3)CC2)cc1

InChI:

InChI=1/C23H23FN2O/c24-21-9-8-19-14-17(6-7-20(19)15-21)16-26-12-10-22(11-13-26)25-23(27)18-4-2-1-3-5-18/h1-9,14-15,22H,10-13,16H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.7669 kcal/mol

Physical Properties
Molecular Weight: 362.448 g/mol	logS: -5.92204	SlogP: 4.6397	Reactive groups: 0

Topological Properties
Globularity: 0.0764435	Sterimol/B1: 3.19289	Sterimol/B2: 3.49512	Sterimol/B3: 4.53662
Sterimol/B4: 6.76245	Sterimol/L: 18.9571

Surface and Volume Properties
Accessible surface: 642.22	Positive charged surface: 379.638	Negative charged surface: 252.542	Volume: 358.25
Hydrophobic surface: 600.514	Hydrophilic surface: 41.706

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02168776
MAYBRIDGE-ZINC04336620