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MMsINC code: MMs03465135

Type: Neutral
Formula: C₂₂H₂₇FN₂O₂

SMILES:

Fc1ccc(cc1)C(O)CN1CCC(N(C(=O)CC)c2ccccc2)CC1

InChI:

InChI=1/C22H27FN2O2/c1-2-22(27)25(19-6-4-3-5-7-19)20-12-14-24(15-13-20)16-21(26)17-8-10-18(23)11-9-17/h3-11,20-21,26H,2,12-16H2,1H3/t21-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.778 kcal/mol

Physical Properties
Molecular Weight: 370.468 g/mol	logS: -4.00072	SlogP: 3.8622	Reactive groups: 0

Topological Properties
Globularity: 0.0576322	Sterimol/B1: 2.53184	Sterimol/B2: 3.4521	Sterimol/B3: 3.90522
Sterimol/B4: 9.78055	Sterimol/L: 17.8455

Surface and Volume Properties
Accessible surface: 642.779	Positive charged surface: 397.999	Negative charged surface: 244.78	Volume: 365.625
Hydrophobic surface: 561.525	Hydrophilic surface: 81.254

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

MMs03465136
PUBCHEM-ZINC05964762