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MMsINC code: MMs03186597

Type: Neutral
Formula: C₂₁H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)C(=O)C1CCN(CC1)CC(=O)NCc1ccccc1

InChI:

InChI=1/C21H23FN2O2/c22-19-8-6-17(7-9-19)21(26)18-10-12-24(13-11-18)15-20(25)23-14-16-4-2-1-3-5-16/h1-9,18H,10-15H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.7988 kcal/mol

Physical Properties
Molecular Weight: 354.425 g/mol	logS: -4.13199	SlogP: 3.3032	Reactive groups: 0

Topological Properties
Globularity: 0.0350236	Sterimol/B1: 3.22097	Sterimol/B2: 3.75707	Sterimol/B3: 3.84111
Sterimol/B4: 5.12723	Sterimol/L: 20.8307

Surface and Volume Properties
Accessible surface: 638.965	Positive charged surface: 395.173	Negative charged surface: 243.792	Volume: 345.5
Hydrophobic surface: 563.952	Hydrophilic surface: 75.013

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs03186598
PUBCHEM-ZINC04966640