Molecular Properties | |
SMILES: | [2H]C([2H])([2H])O[C@@]1(C(=O)Nc2cnc(F)c3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 389.1 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 60.45 |
cLogP: | 4.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter34_isotope
Filter94_2_halo_pyridine
deuterium
2-halopyridine
Isotopes
JOH-UNI-99d163e5-2
0.759
JOH-UNI-99d163e5-5
0.747
PET-UNK-bcc8fd08-1
0.677
JOH-UNI-99d163e5-3
0.674
PET-UNK-bcc8fd08-2
0.635
PET-UNK-bcc8fd08-3
0.616
JOH-UNI-99d163e5-7
0.594
DAR-DIA-e7614d05-2
0.592
ALP-POS-93b3621f-1
0.592
DAR-DIA-e7614d05-3
0.592
DAR-DIA-e7614d05-1
0.592
JOH-UNI-99d163e5-6
0.560
EDG-MED-0e5afe9d-3
0.500
EDJ-MED-d08626de-1
0.500
PET-UNK-29afea89-2
0.500
EDJ-MED-d08626de-2
0.500
EDG-MED-4c68219f-12
0.500
RAL-THA-58fba2bc-2
0.500
JOH-UNI-99d163e5-4
0.500
MIC-UNK-ddc6ad53-1
0.500
PET-UNK-10c83c8b-1
0.495
ED_-GRI-5b13fbe2-72
0.486
EDG-MED-4c68219f-6
0.486
RAL-THA-58fba2bc-4
0.486
PET-UNK-0cc03aae-5
0.482
MIC-UNK-ddc6ad53-3
0.482
PET-UNK-824b5c6a-1
0.481
PET-UNK-824b5c6a-3
0.477
JOH-SUS-a69c159d-2
0.475
CHO-MSK-5891c1ff-11
0.474
MIC-UNK-ddc6ad53-2
0.473
ED_-GRI-5b13fbe2-40
0.473
ED_-GRI-5b13fbe2-41
0.473
EDG-MED-4c68219f-10
0.472
ED_-GRI-5b13fbe2-14
0.470
PET-UNK-acd70dee-3
0.469
PET-UNK-acd70dee-1
0.468
PET-UNK-3bb57da2-3
0.468
PET-UNK-824b5c6a-2
0.468
ALP-POS-93b3621f-2
0.467
MAT-POS-a5ef2d74-2
0.467
EDJ-MED-611d11e7-4
0.467
MAT-POS-ec6d90b7-4
0.467
CHO-MSK-5891c1ff-9
0.466
PET-UNK-acd70dee-2
0.465
ED_-GRI-5b13fbe2-43
0.464
ED_-GRI-5b13fbe2-42
0.464
PET-UNK-3bb57da2-1
0.464
MIC-UNK-5d22d78d-1
0.464
ED_-GRI-5b13fbe2-47
0.460
MIC-UNK-5d22d78d-4
0.460
EDG-MED-4c68219f-16
0.459
ED_-GRI-5b13fbe2-68
0.459
EDG-MED-4c68219f-11
0.458
PET-UNK-acd70dee-6
0.457
PET-UNK-acd70dee-4
0.456
PET-UNK-3bb57da2-2
0.455
PET-UNK-acd70dee-5
0.455
EDJ-MED-28ec730d-3
0.455
PET-UNK-5d7c542f-4
0.455
PET-UNK-5d7c542f-1
0.454
ALP-POS-6f6ae286-3
0.454
PET-UNK-83d689b6-4
0.453
EDG-MED-4c68219f-7
0.453
ED_-GRI-5b13fbe2-48
0.452
CHO-MSK-5891c1ff-10
0.452
ED_-GRI-5b13fbe2-29
0.452
PET-UNK-49566573-1
0.451
ED_-GRI-5b13fbe2-69
0.451
ED_-GRI-5b13fbe2-71
0.451
ED_-GRI-5b13fbe2-70
0.451
PET-UNK-4880b143-1
0.451
MIC-UNK-5d22d78d-2
0.451
MIC-UNK-5d22d78d-3
0.451
PET-UNK-d9de6a0b-1
0.451
PET-UNK-0cc03aae-1
0.451
ED_-GRI-5b13fbe2-30
0.451
ALP-POS-5de921e7-5
0.451
EDG-MED-4c68219f-13
0.450
PET-UNK-83d689b6-3
0.448
CHO-MSK-5891c1ff-8
0.448
PET-UNK-0df12184-2
0.448
PET-UNK-e5587e5d-1
0.447
PET-UNK-5d7c542f-3
0.443
PET-UNK-d9de6a0b-2
0.443
ED_-GRI-5b13fbe2-13
0.441
EDG-MED-4c68219f-8
0.441
EDG-MED-4c68219f-17
0.441
EDJ-MED-28ec730d-4
0.440
PET-UNK-0cc03aae-2
0.440
PET-UNK-0cc03aae-3
0.440
ED_-GRI-5b13fbe2-33
0.440
ED_-GRI-5b13fbe2-53
0.440
PET-UNK-3bb57da2-4
0.440
EDG-MED-4c68219f-15
0.440
ED_-GRI-5b13fbe2-59
0.440
CHO-MSK-5891c1ff-5
0.438
CHO-MSK-5891c1ff-2
0.437
PET-UNK-b38839dc-19
0.436
JOH-UNI-99d163e5-8
0.436