Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)CCC12CNS(=O)(=O)c1ccc(Cl)cc12 |
MW: | 413.06 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 79.37 |
cLogP: | 2.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-10-18 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Activated haloaromatics
EDJ-MED-f9b78f78-4
1.000
ALP-POS-41e2080f-1
0.656
EDJ-MED-94fddcec-4
0.656
EDJ-MED-d4864bdc-3
0.656
JAG-UCB-f37eaa14-2
0.628
DAR-DIA-6be260fc-1
0.628
ALP-POS-4483ae88-2
0.575
EDJ-MED-976a33d5-3
0.575
EDJ-MED-98c0a822-1
0.560
LUO-POS-e1dab717-11
0.560
EDJ-MED-159244ea-1
0.556
ALP-POS-477dc5b7-4
0.556
MAT-POS-983b399a-1
0.556
JAG-UCB-f37eaa14-3
0.551
DAR-DIA-6be260fc-5
0.550
EDJ-MED-98c0a822-2
0.550
LUO-POS-e1dab717-12
0.540
EDJ-MED-7587a9ee-3
0.534
MAT-POS-a9372f04-1
0.531
DAR-DIA-6be260fc-6
0.529
JAG-UCB-f37eaa14-9
0.529
VLA-UNK-3bd6fc51-1
0.519
JAG-UCB-f37eaa14-6
0.519
LUO-POS-ed2cfb03-1
0.514
ALP-POS-ecbed2ba-20
0.509
PET-UNK-aa57768f-8
0.509
PET-UNK-aa57768f-9
0.509
LUO-POS-e1dab717-19
0.509
PET-UNK-aa57768f-3
0.509
PET-UNK-aa57768f-2
0.509
LUO-POS-ed2cfb03-2
0.505
ALP-POS-ecbed2ba-5
0.504
LUO-POS-868e8996-12
0.500
EDJ-MED-8bb691af-4
0.500
MAT-POS-c7726e07-5
0.500
MAT-POS-576f7758-1
0.500
ALP-POS-ecbed2ba-7
0.500
MAT-POS-69786b79-1
0.500
LUO-POS-e1dab717-1
0.500
PET-UNK-14142a25-1
0.500
LUO-POS-9931618f-1
0.500
MIK-ENA-37e0b697-1
0.500
EDJ-MED-cc48ee33-4
0.500
LUO-POS-9931618f-2
0.500
MIK-ENA-794411b8-1
0.500
MAT-POS-566864e2-3
0.500
EDJ-MED-8bb691af-8
0.500
PET-UNK-14142a25-10
0.500
LUO-POS-868e8996-11
0.500
MAT-POS-c7726e07-6
0.500
MAT-POS-566864e2-4
0.500
JAG-UCB-f37eaa14-5
0.500
JAG-UCB-f37eaa14-7
0.500
EDJ-MED-0d144977-3
0.496
EDJ-MED-cc48ee33-7
0.496
EDJ-MED-0d144977-1
0.496
VLA-UNK-f2612802-1
0.496
PET-UNK-6af7266d-1
0.495
PET-UNK-6af7266d-3
0.495
EDJ-MED-3707c4bc-1
0.495
ALP-POS-c3a90b22-6
0.495
PET-UNK-37c7074c-2
0.495
PET-UNK-37c7074c-4
0.495
EDJ-MED-cc48ee33-3
0.491
MAT-POS-69786b79-3
0.491
EDJ-MED-0d144977-2
0.491
ALP-POS-c3a90b22-2
0.491
JOH-MSK-4bb3d434-1
0.491
JAG-UCB-f37eaa14-1
0.490
ALP-POS-ecbed2ba-1
0.487
ALP-POS-ecbed2ba-10
0.487
MAT-POS-576f7758-2
0.487
LUO-POS-e1dab717-2
0.487
EDJ-MED-976a33d5-1
0.487
VLA-UNK-f2612802-2
0.487
MAT-POS-e48723dc-1
0.487
MAT-POS-e48723dc-2
0.487
EDJ-MED-40e596c8-1
0.486
EDJ-MED-40e596c8-3
0.483
PET-UNK-7e9559de-1
0.482
PET-UNK-7e9559de-4
0.482
MAT-POS-96396902-1
0.482
EDJ-MED-6b23330e-1
0.482
MAT-POS-e75f6e44-3
0.482
ALP-POS-ecbed2ba-9
0.482
ALP-POS-ecbed2ba-3
0.482
ALP-POS-ecbed2ba-18
0.482
PET-UNK-94036022-3
0.482
EDJ-MED-accc2c4d-4
0.482
EDJ-MED-3707c4bc-2
0.482
PET-UNK-94036022-10
0.482
EDJ-MED-accc2c4d-3
0.482
JAG-UCB-f37eaa14-4
0.482
PET-UNK-37c7074c-1
0.482
PET-UNK-37c7074c-3
0.482
YVE-CNR-132fc2df-1
0.481
MAT-POS-be048f2c-6
0.479
EDJ-MED-33064c06-4
0.479
MAT-POS-e75f6e44-20
0.479
EDJ-MED-9f4ac58c-2
0.478