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MMsINC code: MMs03806463

Type: Neutral
Formula: C₂₃H₂₈FNO

SMILES:

FCCc1cc2CC(N3CCC(CC3)c3ccccc3)C(O)Cc2cc1

InChI:

InChI=1/C23H28FNO/c24-11-8-17-6-7-20-16-23(26)22(15-21(20)14-17)25-12-9-19(10-13-25)18-4-2-1-3-5-18/h1-7,14,19,22-23,26H,8-13,15-16H2/t22-,23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.4112 kcal/mol

Physical Properties
Molecular Weight: 353.481 g/mol	logS: -3.91416	SlogP: 3.90621	Reactive groups: 1

Topological Properties
Globularity: 0.0448913	Sterimol/B1: 3.32814	Sterimol/B2: 3.98299	Sterimol/B3: 4.20199
Sterimol/B4: 6.29485	Sterimol/L: 18.903

Surface and Volume Properties
Accessible surface: 630.629	Positive charged surface: 422.266	Negative charged surface: 208.363	Volume: 360.125
Hydrophobic surface: 550.404	Hydrophilic surface: 80.225

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs03806464
PUBCHEM-ZINC06579218