Molecular Properties | |
SMILES: | COc1cc2c(NC(=O)[C@@H]3CCS(=O)(=O)c4ccc(Cl)cc43)cncc2cc1F |
MW: | 434.05 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 85.36 |
cLogP: | 3.94 |
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-17
0.789
PET-UNK-2c6614b6-7
0.761
PET-UNK-7bb24635-5
0.731
PET-UNK-09a29654-2
0.701
ALP-POS-6f6ae286-7
0.699
EDG-MED-f9979214-2
0.699
PET-UNK-2c6614b6-6
0.692
BEN-DND-f06bfa8e-5
0.685
EDJ-MED-b7309adf-2
0.685
PET-UNK-2c6614b6-2
0.684
PET-UNK-2c6614b6-3
0.684
PET-UNK-09a29654-3
0.680
MAT-POS-86c60949-1
0.677
EDJ-MED-b7309adf-1
0.677
PET-UNK-2c6614b6-5
0.677
BEN-DND-0ac71396-2
0.677
MAT-POS-66a736cf-1
0.659
LUO-POS-868e8996-13
0.659
LUO-POS-868e8996-14
0.659
MIC-UNK-91acba05-3
0.659
PET-UNK-7bb24635-6
0.649
BEN-DND-0ac71396-1
0.646
PET-UNK-7bb24635-4
0.639
EDJ-MED-93390d0c-1
0.639
EDJ-MED-93390d0c-2
0.639
EDG-MED-f9979214-1
0.636
PET-UNK-2c6614b6-9
0.634
PET-UNK-b38839dc-4
0.633
PET-UNK-2c6614b6-8
0.621
EDJ-MED-d9f3798e-3
0.614
EDJ-MED-94fddcec-1
0.608
PET-UNK-09a29654-1
0.602
EDJ-MED-94fddcec-2
0.592
PET-UNK-7f7e354d-3
0.588
PET-UNK-7279c968-8
0.578
PET-UNK-b38839dc-13
0.578
PET-UNK-b1ef24dc-16
0.577
PET-UNK-b38839dc-15
0.577
PET-UNK-b1ef24dc-13
0.577
PET-UNK-b1ef24dc-15
0.571
PET-UNK-2c6614b6-1
0.570
PET-UNK-2c6614b6-4
0.566
EDJ-MED-94fddcec-3
0.556
PET-UNK-b78139fa-6
0.551
PET-UNK-b1ef24dc-14
0.550
PET-UNK-b38839dc-7
0.547
PET-UNK-b38839dc-10
0.532
PET-UNK-b78139fa-7
0.505
PET-UNK-b78139fa-2
0.505
PET-UNK-b78139fa-3
0.505
PET-UNK-19e211a9-5
0.500
BEN-DND-f06bfa8e-4
0.500
RUB-POS-1325a9ea-10
0.495
PET-UNK-b38839dc-5
0.486
PET-UNK-b78139fa-5
0.485
PET-UNK-158bee2a-11
0.485
MIC-UNK-8758c41d-1
0.480
MAT-POS-29385cc1-1
0.480
PET-UNK-b38839dc-1
0.480
PET-UNK-022eab87-1
0.475
EDJ-MED-dd2a8363-2
0.471
PET-UNK-158bee2a-12
0.469
PET-UNK-158bee2a-10
0.464
PET-UNK-b38839dc-19
0.450
PET-UNK-ee8352fa-5
0.450
PET-UNK-b78139fa-8
0.448
PET-UNK-158bee2a-9
0.447
PET-UNK-b78139fa-9
0.447
EDJ-MED-f9b78f78-5
0.447
EDJ-MED-e18764cb-2
0.443
ALP-POS-a577c8a2-1
0.443
MAT-POS-af1eef35-3
0.443
BEN-DND-d6f8d3c6-1
0.443
PET-UNK-b38839dc-14
0.441
ALP-POS-a577c8a2-2
0.435
MAT-POS-f9802937-7
0.431
PET-UNK-f9b7ae87-8
0.430
PET-UNK-b38839dc-28
0.430
EDJ-MED-f9b78f78-1
0.427
ALF-EVA-5b152d2f-3
0.425
ALP-POS-696356e4-1
0.421
ALP-POS-ce760d3f-7
0.421
EDG-MED-5d232de5-1
0.421
EDG-MED-5d232de5-2
0.421
BEN-DND-c852c98b-6
0.420
PET-UNK-f4e47ebd-4
0.420
PET-UNK-f4e47ebd-3
0.420
PET-UNK-b38839dc-22
0.419
RAL-THA-05e671eb-19
0.418
MAT-POS-43fe65f4-1
0.418
EDJ-MED-e4b030d8-7
0.418
DAR-DIA-6a508060-4
0.418
PET-UNK-b38839dc-8
0.417
BEN-DND-c852c98b-2
0.416
PET-UNK-4b4f2bb7-7
0.416
PET-UNK-b38839dc-11
0.415
PET-UNK-064639eb-4
0.414
PET-UNK-064639eb-1
0.414
EDJ-MED-d9f3798e-2
0.414
ALF-EVA-5b152d2f-2
0.413