Molecular Properties | |
SMILES: | [2H]C([2H])([2H])O[C@@]1(C(=O)Nc2cncc3cc(F)ccc23)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: | ✗ |
Filter34_isotope
deuterium
Isotopes
PET-UNK-5d7c542f-1
0.769
PET-UNK-bcc8fd08-2
0.769
ALP-POS-6f6ae286-3
0.769
PET-UNK-bcc8fd08-1
0.739
PET-UNK-407a74a5-15
0.646
DAR-DIA-e7614d05-1
0.633
DAR-DIA-e7614d05-2
0.633
ALP-POS-93b3621f-1
0.633
DAR-DIA-e7614d05-3
0.633
PET-UNK-407a74a5-10
0.626
JOH-UNI-99d163e5-1
0.616
JOH-UNI-99d163e5-5
0.614
ALP-POS-93b3621f-4
0.592
PET-UNK-03fd2068-8
0.588
PET-UNK-5d7c542f-2
0.583
MAT-POS-ec6d90b7-4
0.580
MAT-POS-a5ef2d74-2
0.580
EDJ-MED-611d11e7-4
0.580
PET-UNK-bcc8fd08-6
0.574
PET-UNK-10c83c8b-1
0.563
PET-UNK-81b485b5-6
0.558
PET-UNK-81b485b5-20
0.558
PET-UNK-29afea89-2
0.554
EDJ-MED-d08626de-2
0.554
EDG-MED-0e5afe9d-3
0.554
EDJ-MED-d08626de-1
0.554
RAL-THA-58fba2bc-2
0.552
EDG-MED-4c68219f-12
0.552
MIC-UNK-ddc6ad53-1
0.552
JOH-UNI-99d163e5-3
0.552
EDG-MED-10fcb19e-2
0.551
EDJ-MED-6bf93aa8-1
0.551
MIC-UNK-7f86385f-1
0.546
EDJ-MED-1b46f08e-1
0.546
PET-UNK-b38839dc-19
0.543
JOH-UNI-99d163e5-7
0.542
ED_-GRI-5b13fbe2-72
0.538
EDG-MED-4c68219f-6
0.538
PET-UNK-ee8352fa-2
0.538
RAL-THA-58fba2bc-4
0.538
MIC-UNK-7f86385f-2
0.536
MIC-UNK-7f86385f-4
0.536
PET-UNK-b78139fa-14
0.534
PET-UNK-824b5c6a-1
0.533
PET-UNK-f4e47ebd-19
0.533
EDJ-MED-28ec730d-3
0.532
PET-UNK-acd70dee-1
0.532
MIC-UNK-ddc6ad53-3
0.532
PET-UNK-49566573-3
0.532
PET-UNK-b566c0b0-1
0.528
PET-UNK-824b5c6a-3
0.528
PET-UNK-3bb57da2-1
0.528
PET-UNK-a7639856-2
0.528
EDG-MED-4c68219f-10
0.523
ED_-GRI-5b13fbe2-40
0.523
ED_-GRI-5b13fbe2-41
0.523
MIC-UNK-ddc6ad53-2
0.523
MIC-UNK-7f86385f-3
0.522
EDJ-MED-c3ea9889-6
0.519
PET-UNK-3bb57da2-3
0.519
PET-UNK-824b5c6a-2
0.519
PET-UNK-3bb57da2-2
0.518
PET-UNK-acd70dee-3
0.518
MIC-UNK-7f86385f-5
0.518
PET-UNK-4b4f2bb7-5
0.514
ALP-POS-6f6ae286-2
0.514
PET-UNK-b38839dc-20
0.514
MIC-UNK-5d22d78d-1
0.514
PET-UNK-d9de6a0b-1
0.514
ED_-GRI-5b13fbe2-42
0.514
ED_-GRI-5b13fbe2-43
0.514
ED_-GRI-5b13fbe2-48
0.513
PET-UNK-49566573-4
0.513
EDG-MED-4c68219f-16
0.509
ED_-GRI-5b13fbe2-68
0.509
MIC-UNK-5d22d78d-4
0.509
ED_-GRI-5b13fbe2-47
0.509
PET-UNK-03fd2068-1
0.505
MAT-POS-a5ef2d74-3
0.505
PET-UNK-f4e47ebd-17
0.505
EDJ-MED-611d11e7-10
0.505
ALP-POS-93b3621f-3
0.505
PET-UNK-6e612674-5
0.505
PET-UNK-6e612674-13
0.505
PET-UNK-acd70dee-5
0.505
PET-UNK-5d7c542f-4
0.505
PET-UNK-0cc03aae-5
0.505
PET-UNK-a7639856-3
0.504
ED_-GRI-5b13fbe2-14
0.504
PET-UNK-acd70dee-6
0.504
PET-UNK-83d689b6-4
0.500
ED_-GRI-5b13fbe2-70
0.500
CHO-MSK-5891c1ff-9
0.500
CHO-MSK-5891c1ff-10
0.500
MIC-UNK-5d22d78d-2
0.500
MIC-UNK-5d22d78d-3
0.500
ED_-GRI-5b13fbe2-29
0.500
ED_-GRI-5b13fbe2-69
0.500
ED_-GRI-5b13fbe2-71
0.500
EDG-MED-4c68219f-8
0.500