Molecular Properties | |
SMILES: | O=C(Nc1cncc2cnoc12)[C@@H]1CCS(=O)(=O)c2ccc(Cl)cc21 |
MW: | 377.02 |
Fraction sp3: | 0.19 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 102.16 |
cLogP: | 2.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
PET-UNK-b1ef24dc-21
0.732
BEN-DND-f06bfa8e-5
0.640
EDJ-MED-b7309adf-2
0.640
LUO-POS-868e8996-14
0.632
MAT-POS-66a736cf-1
0.632
MIC-UNK-91acba05-3
0.632
LUO-POS-868e8996-13
0.632
PET-UNK-b1ef24dc-15
0.629
PET-UNK-2c6614b6-9
0.625
PET-UNK-b38839dc-15
0.618
PET-UNK-b1ef24dc-5
0.614
EDJ-MED-94fddcec-3
0.611
PET-UNK-2c6614b6-6
0.611
PET-UNK-2c6614b6-8
0.611
PET-UNK-2c6614b6-1
0.609
PET-UNK-b1ef24dc-14
0.604
PET-UNK-2c6614b6-7
0.604
PET-UNK-2c6614b6-4
0.604
MAT-POS-86c60949-1
0.598
PET-UNK-2c6614b6-5
0.598
EDJ-MED-b7309adf-1
0.598
EDJ-MED-94fddcec-2
0.598
PET-UNK-7bb24635-6
0.589
PET-UNK-b1ef24dc-9
0.589
EDG-MED-f9979214-2
0.585
ALP-POS-6f6ae286-7
0.585
BEN-DND-0ac71396-1
0.585
PET-UNK-b38839dc-17
0.583
PET-UNK-7bb24635-4
0.579
EDJ-MED-93390d0c-1
0.579
EDJ-MED-93390d0c-2
0.579
PET-UNK-b38839dc-16
0.577
PET-UNK-2c6614b6-3
0.573
PET-UNK-2c6614b6-2
0.573
PET-UNK-7bb24635-5
0.567
BEN-DND-0ac71396-2
0.567
PET-UNK-b1ef24dc-16
0.565
EDG-MED-f9979214-1
0.561
PET-UNK-b1ef24dc-17
0.559
PET-UNK-7f7e354d-3
0.559
EDJ-MED-d9f3798e-3
0.556
EDJ-MED-94fddcec-1
0.550
EDJ-MED-dd2a8363-2
0.548
PET-UNK-09a29654-1
0.545
PET-UNK-09a29654-2
0.545
PET-UNK-09a29654-3
0.529
PET-UNK-158bee2a-12
0.517
PET-UNK-158bee2a-11
0.517
PET-UNK-158bee2a-10
0.511
PET-UNK-b1ef24dc-25
0.510
PET-UNK-b1ef24dc-33
0.510
PET-UNK-b1ef24dc-29
0.490
PET-UNK-ab76d8f6-5
0.490
PET-UNK-158bee2a-9
0.474
PET-UNK-064639eb-1
0.465
PET-UNK-064639eb-4
0.465
PET-UNK-b1ef24dc-23
0.444
PET-UNK-022eab87-1
0.443
MIC-UNK-8758c41d-1
0.434
PET-UNK-b78139fa-7
0.430
PET-UNK-b78139fa-8
0.430
PET-UNK-b78139fa-9
0.429
PET-UNK-b1ef24dc-1
0.429
PET-UNK-b78139fa-1
0.422
PET-UNK-b1ef24dc-22
0.420
PET-UNK-b78139fa-6
0.416
PET-UNK-b78139fa-4
0.416
BEN-DND-f06bfa8e-4
0.413
PET-UNK-0df12184-4
0.413
PET-UNK-b78139fa-5
0.412
PET-UNK-b78139fa-2
0.406
PET-UNK-b78139fa-3
0.406
PET-UNK-c0891748-10
0.398
PET-UNK-c0891748-4
0.398
BEN-BAS-c2bc0d80-2
0.396
PET-UNK-b1ef24dc-24
0.392
ALP-POS-a577c8a2-2
0.390
EDJ-MED-f9b78f78-5
0.386
BEN-DND-d6f8d3c6-1
0.385
EDJ-MED-e18764cb-2
0.385
MAT-POS-af1eef35-3
0.385
ALP-POS-a577c8a2-1
0.385
ALF-EVA-5b152d2f-5
0.380
MAT-POS-b3e365b9-2
0.379
MAT-POS-b3e365b9-1
0.379
MAT-POS-f7918075-1
0.379
VLA-UCB-1dbca3b4-15
0.379
ALF-EVA-5b152d2f-3
0.379
PET-UNK-b1ef24dc-7
0.379
EDJ-MED-ba7e64f2-1
0.375
BEN-DND-c852c98b-4
0.375
PET-UNK-c65ea24c-17
0.373
ALF-EVA-ced740bd-1
0.370
PET-UNK-c65ea24c-5
0.369
ALF-EVA-5b152d2f-1
0.368
ALF-EVA-5b152d2f-7
0.367
MAT-POS-78e1d523-1
0.365
MIC-UNK-91acba05-4
0.365
ALP-POS-477dc5b7-1
0.365
DAR-DIA-0d514e7d-36
0.365