Molecular Properties | |
SMILES: | COc1cc2c(NC(=O)[C@@H]3CCS(=O)(=O)c4ccc(Cl)cc43)cncc2cc1Cl |
MW: | 450.02 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.36 |
cLogP: | 4.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
MIC-UNK-ea4eb352-1
ALP-POS-f1807566-3
EDJ-MED-00c1612e-1
ADA-UCB-6c2cb422-1
PET-UNK-7f7e354d-7
MAT-POS-4223bc15-2
JIN-POS-6dc588a4-22
PET-UNK-88d26eaf-1
MAT-POS-24589f88-3
PET-UNK-29afea89-2
MAR-UCB-fd2e172f-41
PET-UNK-9bf1291a-1
MIC-UNK-91acba05-1
MAT-POS-b3e365b9-1
EDJ-MED-b7309adf-2
MIC-UNK-91acba05-3
JIN-POS-6dc588a4-11
PET-UNK-b38839dc-16
0.789
ALP-POS-6f6ae286-7
0.707
EDG-MED-f9979214-2
0.707
BEN-DND-f06bfa8e-5
0.693
EDJ-MED-b7309adf-2
0.693
PET-UNK-2c6614b6-7
0.692
PET-UNK-2c6614b6-3
0.691
PET-UNK-2c6614b6-2
0.691
PET-UNK-7bb24635-5
0.667
PET-UNK-2c6614b6-6
0.663
PET-UNK-7bb24635-6
0.656
BEN-DND-0ac71396-2
0.649
MAT-POS-86c60949-1
0.649
PET-UNK-2c6614b6-5
0.649
EDJ-MED-b7309adf-1
0.649
LUO-POS-868e8996-14
0.648
MAT-POS-66a736cf-1
0.648
LUO-POS-868e8996-13
0.648
MIC-UNK-91acba05-3
0.648
PET-UNK-7bb24635-4
0.646
EDJ-MED-93390d0c-1
0.646
EDJ-MED-93390d0c-2
0.646
PET-UNK-2c6614b6-9
0.641
PET-UNK-09a29654-2
0.640
BEN-DND-0ac71396-1
0.635
PET-UNK-b38839dc-5
0.629
PET-UNK-2c6614b6-8
0.628
EDG-MED-f9979214-1
0.626
PET-UNK-09a29654-3
0.621
EDJ-MED-d9f3798e-3
0.620
EDJ-MED-94fddcec-1
0.614
PET-UNK-09a29654-1
0.608
PET-UNK-b38839dc-15
0.583
PET-UNK-b1ef24dc-16
0.583
PET-UNK-b1ef24dc-13
0.583
EDJ-MED-94fddcec-2
0.582
PET-UNK-b1ef24dc-15
0.577
EDJ-MED-94fddcec-3
0.577
PET-UNK-7f7e354d-3
0.577
PET-UNK-b38839dc-14
0.574
PET-UNK-2c6614b6-4
0.571
PET-UNK-2c6614b6-1
0.560
PET-UNK-b1ef24dc-14
0.556
PET-UNK-b38839dc-8
0.543
PET-UNK-b38839dc-11
0.523
PET-UNK-b78139fa-2
0.510
PET-UNK-b78139fa-3
0.510
RUB-POS-1325a9ea-10
0.500
PET-UNK-b78139fa-6
0.495
BEN-DND-f06bfa8e-4
0.490
PET-UNK-158bee2a-11
0.490
PET-UNK-b38839dc-4
0.486
MIC-UNK-8758c41d-1
0.485
PET-UNK-b78139fa-7
0.480
EDJ-MED-dd2a8363-2
0.476
PET-UNK-158bee2a-12
0.474
PET-UNK-158bee2a-10
0.469
PET-UNK-022eab87-1
0.465
PET-UNK-b38839dc-2
0.465
PET-UNK-b78139fa-5
0.462
PET-UNK-b78139fa-8
0.452
PET-UNK-b78139fa-9
0.451
EDJ-MED-f9b78f78-5
0.451
PET-UNK-158bee2a-9
0.451
PET-UNK-b38839dc-13
0.441
PET-UNK-7279c968-8
0.441
PET-UNK-b38839dc-20
0.441
MAT-POS-f9802937-7
0.435
MAT-POS-af1eef35-3
0.434
EDJ-MED-e18764cb-2
0.434
BEN-DND-d6f8d3c6-1
0.434
ALP-POS-a577c8a2-1
0.434
EDJ-MED-f9b78f78-1
0.431
ALP-POS-a577c8a2-2
0.426
PET-UNK-f4e47ebd-4
0.423
PET-UNK-f4e47ebd-3
0.423
PET-UNK-b38839dc-29
0.421
PET-UNK-064639eb-1
0.418
PET-UNK-064639eb-4
0.418
EDJ-MED-d9f3798e-2
0.417
PET-UNK-b38839dc-7
0.417
PET-UNK-b1ef24dc-21
0.415
PET-UNK-b1ef24dc-24
0.415
ALF-EVA-5b152d2f-3
0.415
WIL-UCB-7ba4ac3a-1
0.413
ERI-UCB-b3e6b0c2-15
0.412
EDJ-MED-ba7e64f2-1
0.411
PET-UNK-b1ef24dc-23
0.411
BEN-DND-c852c98b-4
0.411
PET-UNK-b38839dc-23
0.410
EDJ-MED-e4b030d8-7
0.409
DAR-DIA-6a508060-4
0.409
RAL-THA-05e671eb-19
0.409
MAT-POS-43fe65f4-1
0.409
EDJ-MED-f9b78f78-2
0.409
ERI-UCB-b3e6b0c2-16
0.409
PET-UNK-b38839dc-10
0.407
ALF-EVA-ced740bd-1
0.405
ERI-UCB-b3e6b0c2-17
0.405
ALF-EVA-5b152d2f-2
0.404