Molecular Properties | |
SMILES: | O=C(Cc1cccc(Cl)c1)Nc1cncc2sncc12 |
MW: | 303.02 |
Fraction sp3: | 0.07 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 54.88 |
cLogP: | 3.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-0df12184-3
PET-UNK-0df12184-2
PET-UNK-0df12184-5
PET-UNK-0df12184-4
PET-UNK-0df12184-1
PET-UNK-c65ea24c-18
PET-UNK-c65ea24c-15
PET-UNK-c65ea24c-11
PET-UNK-c65ea24c-9
PET-UNK-c65ea24c-7
PET-UNK-c65ea24c-6
PET-UNK-c65ea24c-5
PET-UNK-c65ea24c-2
PET-UNK-c65ea24c-16
PET-UNK-c65ea24c-13
PET-UNK-c65ea24c-12
PET-UNK-c65ea24c-10
PET-UNK-c65ea24c-8
PET-UNK-c65ea24c-4
PET-UNK-c65ea24c-3
PET-UNK-c65ea24c-1
PET-UNK-c65ea24c-17
PET-UNK-c65ea24c-14
PET-UNK-ab76d8f6-6
PET-UNK-ab76d8f6-4
PET-UNK-ab76d8f6-3
PET-UNK-ab76d8f6-1
PET-UNK-ab76d8f6-2
PET-UNK-ab76d8f6-5
JIN-POS-6dc588a4-22
0.648
MAT-POS-bb423b95-9
0.568
JIN-POS-6dc588a4-13
0.560
PET-UNK-b1ef24dc-2
0.560
ADA-UCB-6c2cb422-1
0.554
JIN-POS-6dc588a4-12
0.553
RUB-POS-1325a9ea-5
0.553
PET-UNK-f4e47ebd-2
0.550
MAT-POS-bb423b95-1
0.547
JIN-POS-6dc588a4-11
0.545
PET-UNK-7f7e354d-7
0.539
RUB-POS-1325a9ea-13
0.539
JIN-POS-6dc588a4-18
0.538
PET-UNK-b1ef24dc-3
0.532
MAT-POS-bb423b95-8
0.532
MAT-POS-f7918075-5
0.532
JAN-GHE-5a013bed-10
0.529
MIC-UNK-08cd9c58-1
0.526
RUB-POS-1325a9ea-15
0.526
MAT-POS-f7918075-3
0.526
EDJ-MED-00c1612e-1
0.525
PET-UNK-8df914d1-1
0.525
ALP-POS-95b75b4d-8
0.521
SAM-UNK-2684b532-13
0.521
MAT-POS-c20a539d-6
0.519
MAT-POS-90fd5f68-40
0.519
MAT-POS-29385cc1-3
0.519
RUB-POS-1325a9ea-4
0.519
MAT-POS-90fd5f68-4
0.519
ALP-POS-95b75b4d-6
0.514
MAT-POS-90fd5f68-38
0.512
MAT-POS-c20a539d-2
0.512
MAT-POS-90fd5f68-37
0.512
MAT-POS-90fd5f68-20
0.512
PET-UNK-8df914d1-3
0.507
TRY-UNI-714a760b-6
0.507
MAT-POS-90fd5f68-19
0.506
MAT-POS-90fd5f68-1
0.506
MAT-POS-c20a539d-1
0.500
EDJ-MED-a364e151-3
0.500
MAT-POS-90fd5f68-22
0.500
MAT-POS-90fd5f68-25
0.500
MAT-POS-c0609ef7-1
0.500
MAT-POS-90fd5f68-7
0.500
MAT-POS-c20a539d-5
0.500
PET-UNK-6314f867-2
0.500
MAT-POS-c20a539d-4
0.500
PET-UNK-d899bab6-1
0.500
MAT-POS-90fd5f68-26
0.494
MAT-POS-90fd5f68-24
0.494
PET-UNK-7fb4f80a-2
0.494
PET-UNK-f4e47ebd-1
0.494
PET-UNK-b38839dc-2
0.494
MAT-POS-90fd5f68-29
0.494
MAT-POS-90fd5f68-41
0.494
PET-UNK-d899bab6-3
0.494
MAT-POS-90fd5f68-11
0.494
ALP-POS-95b75b4d-7
0.494
JOH-UNI-abfda500-4
0.493
JOH-UNI-abfda500-5
0.493
TRY-UNI-714a760b-3
0.493
ANN-UNI-98d2bf15-3
0.493
MAT-POS-90fd5f68-36
0.488
MAT-POS-90fd5f68-18
0.488
MAT-POS-90fd5f68-6
0.488
MAT-POS-90fd5f68-39
0.488
MAT-POS-29385cc1-2
0.488
MAT-POS-90fd5f68-2
0.488
PET-UNK-d899bab6-2
0.488
MAT-POS-f7918075-8
0.487
ALP-POS-95b75b4d-5
0.487
MAT-POS-bb423b95-4
0.487
MAK-UNK-6ca90168-23
0.487
JAN-GHE-5a013bed-6
0.486
MAT-POS-90fd5f68-23
0.483
MAT-POS-90fd5f68-8
0.483
MAT-POS-90fd5f68-21
0.482
PET-UNK-b38839dc-1
0.482
MAT-POS-29385cc1-1
0.482
MAT-POS-90fd5f68-3
0.482
MAT-POS-c20a539d-3
0.482
MAT-POS-c20a539d-8
0.482
MIC-UNK-9dc9fcd1-1
0.482
MAT-POS-90fd5f68-9
0.482
MAT-POS-90fd5f68-17
0.482
MAT-POS-90fd5f68-35
0.482
MAT-POS-90fd5f68-27
0.482
PET-UNK-e274cad4-6
0.481
SAM-UNK-2684b532-12
0.481
MAT-POS-bb423b95-5
0.481
JIN-POS-6dc588a4-4
0.481
JIN-POS-6dc588a4-3
0.481
SAM-UNK-2684b532-11
0.481
RUB-POS-1325a9ea-19
0.481
ABI-SAT-4d06482b-2
0.480
PET-UNK-158bee2a-3
0.479
MAT-POS-90fd5f68-13
0.478
MAT-POS-90fd5f68-5
0.477
MAT-POS-90fd5f68-12
0.477
MAT-POS-90fd5f68-30
0.477