Molecular Properties | |
SMILES: | [2H]C([2H])([2H])O[C@@]1(C(=O)Nc2c(F)ncc3ccccc23)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-99d163e5-4
0.767
JOH-UNI-99d163e5-7
0.745
JOH-UNI-99d163e5-1
0.674
PET-UNK-bcc8fd08-1
0.656
JOH-UNI-99d163e5-5
0.604
PET-UNK-bcc8fd08-2
0.600
JOH-UNI-99d163e5-8
0.563
DAR-DIA-e7614d05-2
0.559
ALP-POS-93b3621f-1
0.559
DAR-DIA-e7614d05-3
0.559
DAR-DIA-e7614d05-1
0.559
PET-UNK-bcc8fd08-3
0.552
JOH-UNI-99d163e5-2
0.515
PET-UNK-29afea89-2
0.500
EDJ-MED-d08626de-2
0.500
EDG-MED-0e5afe9d-3
0.500
EDJ-MED-d08626de-1
0.500
MIC-UNK-ddc6ad53-1
0.500
PET-UNK-10c83c8b-1
0.495
PET-UNK-824b5c6a-1
0.495
RAL-THA-58fba2bc-4
0.486
RAL-THA-58fba2bc-2
0.486
EDG-MED-4c68219f-6
0.486
EDG-MED-4c68219f-12
0.486
ED_-GRI-5b13fbe2-72
0.486
MIC-UNK-ddc6ad53-3
0.482
PET-UNK-824b5c6a-2
0.482
PET-UNK-824b5c6a-3
0.477
MIC-UNK-ddc6ad53-2
0.474
ED_-GRI-5b13fbe2-41
0.473
ED_-GRI-5b13fbe2-40
0.473
EDG-MED-4c68219f-10
0.473
PET-UNK-acd70dee-3
0.470
PET-UNK-0cc03aae-5
0.469
PET-UNK-acd70dee-1
0.469
EDJ-MED-28ec730d-3
0.469
PET-UNK-3bb57da2-3
0.468
ED_-GRI-5b13fbe2-48
0.466
PET-UNK-acd70dee-2
0.466
ED_-GRI-5b13fbe2-70
0.465
ED_-GRI-5b13fbe2-43
0.465
ED_-GRI-5b13fbe2-42
0.465
ED_-GRI-5b13fbe2-69
0.465
ED_-GRI-5b13fbe2-71
0.465
PET-UNK-3bb57da2-1
0.464
MIC-UNK-5d22d78d-1
0.464
MIC-UNK-5d22d78d-4
0.461
ED_-GRI-5b13fbe2-47
0.461
ED_-GRI-5b13fbe2-68
0.460
EDG-MED-4c68219f-16
0.460
JOH-UNI-99d163e5-6
0.459
RUB-POS-1325a9ea-18
0.458
PET-UNK-acd70dee-6
0.458
PET-UNK-acd70dee-4
0.457
PET-UNK-3bb57da2-2
0.456
PET-UNK-5d7c542f-4
0.456
PET-UNK-acd70dee-5
0.456
CHO-MSK-5891c1ff-9
0.454
PET-UNK-83d689b6-4
0.454
EDJ-MED-611d11e7-4
0.454
MAT-POS-a5ef2d74-2
0.454
MAT-POS-ec6d90b7-4
0.454
CHO-MSK-5891c1ff-10
0.453
PET-UNK-0cc03aae-1
0.452
ED_-GRI-5b13fbe2-30
0.452
MIC-UNK-5d22d78d-2
0.452
PET-UNK-d9de6a0b-1
0.452
PET-UNK-4880b143-1
0.452
PET-UNK-49566573-1
0.452
MIC-UNK-5d22d78d-3
0.452
PET-UNK-83d689b6-3
0.449
CHO-MSK-5891c1ff-8
0.449
JOH-UNI-6e27fddc-4
0.449
PET-UNK-e5587e5d-1
0.448
ED_-GRI-5b13fbe2-14
0.445
ED_-GRI-5b13fbe2-57
0.445
PET-UNK-d9de6a0b-2
0.444
PET-UNK-5d7c542f-3
0.444
ED_-GRI-5b13fbe2-34
0.444
EDG-MED-4c68219f-2
0.443
EDG-MED-4c68219f-8
0.442
EDG-MED-4c68219f-17
0.442
EDG-MED-4c68219f-7
0.442
PET-UNK-3bb57da2-4
0.441
EDG-MED-4c68219f-15
0.441
ED_-GRI-5b13fbe2-59
0.441
ED_-GRI-5b13fbe2-53
0.441
ED_-GRI-5b13fbe2-29
0.441
ED_-GRI-5b13fbe2-33
0.441
EDJ-MED-28ec730d-4
0.441
PET-UNK-0cc03aae-2
0.441
PET-UNK-0cc03aae-3
0.441
CHO-MSK-5891c1ff-5
0.439
CHO-MSK-5891c1ff-2
0.438
CHO-MSK-5891c1ff-11
0.438
MIC-UNK-d58dbb53-2
0.437
PET-UNK-49566573-2
0.437
ED_-GRI-5b13fbe2-10
0.435
JOH-UNI-6e27fddc-2
0.435
EDG-MED-4c68219f-11
0.434