Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(OC(F)F)ccc12)[C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 452.04 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 85.36 |
cLogP: | 4.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
EDJ-MED-b7309adf-1
ALP-POS-6f6ae286-7
0.784
EDG-MED-f9979214-2
0.784
EDJ-MED-b7309adf-2
0.753
BEN-DND-f06bfa8e-5
0.753
BEN-DND-0ac71396-1
0.744
MAT-POS-86c60949-1
0.722
EDJ-MED-b7309adf-1
0.722
PET-UNK-2c6614b6-5
0.722
PET-UNK-2c6614b6-7
0.692
EDJ-MED-93390d0c-2
0.681
PET-UNK-b38839dc-16
0.677
MIC-UNK-91acba05-3
0.667
LUO-POS-868e8996-13
0.667
LUO-POS-868e8996-14
0.667
MAT-POS-66a736cf-1
0.667
EDG-MED-f9979214-1
0.660
PET-UNK-2c6614b6-9
0.659
PET-UNK-b38839dc-17
0.649
EDJ-MED-94fddcec-1
0.646
PET-UNK-2c6614b6-6
0.645
PET-UNK-2c6614b6-3
0.639
PET-UNK-7bb24635-5
0.633
PET-UNK-2c6614b6-8
0.628
PET-UNK-09a29654-2
0.608
PET-UNK-2c6614b6-2
0.606
PET-UNK-7bb24635-6
0.606
PET-UNK-7bb24635-4
0.596
EDJ-MED-93390d0c-1
0.596
PET-UNK-09a29654-3
0.590
PET-UNK-b38839dc-15
0.583
PET-UNK-b1ef24dc-16
0.583
PET-UNK-b1ef24dc-15
0.577
PET-UNK-7f7e354d-3
0.577
EDJ-MED-d9f3798e-3
0.573
PET-UNK-b1ef24dc-13
0.567
EDJ-MED-94fddcec-2
0.566
PET-UNK-09a29654-1
0.562
EDJ-MED-94fddcec-3
0.561
PET-UNK-2c6614b6-4
0.556
PET-UNK-b1ef24dc-14
0.556
PET-UNK-2c6614b6-1
0.545
PET-UNK-b78139fa-5
0.520
BEN-DND-f06bfa8e-4
0.520
EDJ-MED-f9b78f78-5
0.510
BEN-DND-c852c98b-6
0.505
PET-UNK-b78139fa-6
0.495
PET-UNK-022eab87-1
0.480
BEN-DND-d6f8d3c6-1
0.476
ALP-POS-a577c8a2-1
0.476
EDJ-MED-e18764cb-2
0.476
MAT-POS-af1eef35-3
0.476
EDJ-MED-dd2a8363-2
0.476
PET-UNK-158bee2a-11
0.474
PET-UNK-158bee2a-12
0.474
EDJ-MED-f9b78f78-1
0.472
MIC-UNK-8758c41d-1
0.471
PET-UNK-158bee2a-10
0.469
PET-UNK-b78139fa-3
0.467
PET-UNK-b78139fa-7
0.466
PET-UNK-b78139fa-9
0.465
ERI-UCB-b3e6b0c2-15
0.464
ERI-UCB-b3e6b0c2-16
0.459
ERI-UCB-b3e6b0c2-17
0.455
PET-UNK-b78139fa-8
0.452
PET-UNK-158bee2a-9
0.451
EDJ-MED-f9b78f78-2
0.446
PET-UNK-03fd2068-1
0.443
MAK-UNK-8be7dca9-9
0.443
PET-UNK-b78139fa-2
0.440
BEN-DND-c852c98b-2
0.432
ALF-EVA-5b152d2f-5
0.427
ALP-POS-a577c8a2-2
0.426
TET-ENA-382364b7-1
0.423
ALP-POS-82da25a3-1
0.422
PET-UNK-b38839dc-4
0.420
PET-UNK-064639eb-1
0.418
PET-UNK-064639eb-4
0.418
MAK-UNK-8be7dca9-5
0.418
RUB-POS-1325a9ea-10
0.418
ERI-UCB-8d4e5055-3
0.418
PET-UNK-6314f867-1
0.418
MAT-POS-7ddaf7de-2
0.418
EDJ-MED-d9f3798e-2
0.417
MAT-POS-1ecf5680-1
0.416
MAT-POS-1ecf5680-2
0.416
VLA-UCB-1dbca3b4-15
0.415
MAT-POS-f7918075-1
0.415
PET-UNK-b1ef24dc-24
0.415
MAT-POS-b3e365b9-1
0.415
MAT-POS-b3e365b9-2
0.415
EDJ-MED-378a25ea-29
0.414
EDJ-MED-41558c53-9
0.413
PET-UNK-b1ef24dc-23
0.411
MAK-UNK-8be7dca9-2
0.411
ALF-EVA-5b152d2f-8
0.411
MAT-POS-f9802937-7
0.409
BEN-DND-c852c98b-7
0.405
PET-UNK-1e13ef09-1
0.405
JAG-UCB-571deb56-3
0.405
MAT-POS-7ddaf7de-1
0.405