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MMsINC code: MMs02237479

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.9186 kcal/mol

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

Topological Properties
Globularity: 0.0410227	Sterimol/B1: 2.78771	Sterimol/B2: 4.73984	Sterimol/B3: 4.94042
Sterimol/B4: 5.05561	Sterimol/L: 20.3153

Surface and Volume Properties
Accessible surface: 643.091	Positive charged surface: 393.261	Negative charged surface: 249.831	Volume: 358.875
Hydrophobic surface: 579.571	Hydrophilic surface: 63.52

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

MMs02237480
NCID-ZINC01579717