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MMsINC code: MMs03101643

Type: Neutral
Formula: C₂₂H₂₅F₂NO₂

SMILES:

Fc1ccc(cc1)C(O)C1CCN(CC1)CCCC(=O)c1ccc(F)cc1

InChI:

InChI=1/C22H25F2NO2/c23-19-7-3-16(4-8-19)21(26)2-1-13-25-14-11-18(12-15-25)22(27)17-5-9-20(24)10-6-17/h3-10,18,22,27H,1-2,11-15H2/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9449 kcal/mol

Physical Properties
Molecular Weight: 373.443 g/mol	logS: -4.4554	SlogP: 4.4688	Reactive groups: 0

Topological Properties
Globularity: 0.0422676	Sterimol/B1: 2.82782	Sterimol/B2: 4.80924	Sterimol/B3: 4.96944
Sterimol/B4: 5.05187	Sterimol/L: 20.0605

Surface and Volume Properties
Accessible surface: 647.753	Positive charged surface: 396.65	Negative charged surface: 251.103	Volume: 359.25
Hydrophobic surface: 582.209	Hydrophilic surface: 65.544

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03101644
PUBCHEM-ZINC04212951