Molecular Properties | |
SMILES: | O=C1Nc2ccc(Cl)cc2C12CCN(c1cncc3ccccc13)C2=O |
MW: | 363.08 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 62.3 |
cLogP: | 3.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-02-14 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
beta-keto/anhydride
Dye 11
VLA-UNK-70dd90ef-3
0.625
DAR-DIA-6be260fc-5
0.615
JAG-UCB-f37eaa14-2
0.611
DAR-DIA-6be260fc-1
0.611
YVE-CNR-132fc2df-1
0.604
YVE-CNR-7d92d73e-1
0.587
ALP-POS-e0fe77e5-13
0.579
DAR-DIA-6be260fc-6
0.574
JAG-UCB-f37eaa14-3
0.548
EDJ-MED-94fddcec-4
0.537
EDJ-MED-d4864bdc-3
0.537
EDJ-MED-159244ea-1
0.537
MAT-POS-983b399a-1
0.537
ALP-POS-477dc5b7-4
0.537
ALP-POS-41e2080f-1
0.537
PET-UNK-aa57768f-2
0.535
LUO-POS-e1dab717-19
0.535
PET-UNK-aa57768f-3
0.535
PET-UNK-aa57768f-8
0.535
PET-UNK-aa57768f-9
0.535
EDJ-MED-7587a9ee-3
0.531
ALP-POS-4483ae88-1
0.531
EDJ-MED-f9b78f78-4
0.531
JAG-UCB-f37eaa14-6
0.530
JAG-UCB-f37eaa14-9
0.525
MIK-ENA-37e0b697-1
0.525
LUO-POS-9931618f-2
0.525
LUO-POS-9931618f-1
0.525
EDJ-MED-8bb691af-8
0.525
PET-UNK-14142a25-1
0.525
MIK-ENA-794411b8-1
0.525
PET-UNK-14142a25-10
0.525
JAG-UCB-f37eaa14-5
0.524
ALP-POS-ecbed2ba-20
0.520
VLA-UNK-c65c1026-1
0.515
VLA-UNK-3bd6fc51-1
0.515
LUO-POS-ed2cfb03-2
0.515
JOH-MSK-4bb3d434-1
0.515
PET-UNK-aa57768f-7
0.514
PET-UNK-aa57768f-1
0.514
MAT-POS-d8472c4f-1
0.511
MAT-POS-8695a11f-1
0.511
MAT-POS-8695a11f-3
0.511
MAT-POS-c7726e07-5
0.510
LUO-POS-868e8996-12
0.510
MAT-POS-c7726e07-6
0.510
EDJ-MED-8bb691af-4
0.510
LUO-POS-868e8996-11
0.510
JAG-UCB-f37eaa14-7
0.510
EDJ-MED-33064c06-2
0.509
EDJ-MED-cc48ee33-4
0.509
DAR-DIA-6be260fc-3
0.505
EDJ-MED-7587a9ee-2
0.505
ALP-POS-ecbed2ba-18
0.505
EDJ-MED-3707c4bc-2
0.505
PET-UNK-6af7266d-1
0.505
PET-UNK-6af7266d-3
0.505
EDJ-MED-3707c4bc-1
0.505
PET-UNK-37c7074c-1
0.505
PET-UNK-37c7074c-3
0.505
PET-UNK-37c7074c-2
0.505
PET-UNK-37c7074c-4
0.505
JAG-UCB-f37eaa14-4
0.505
ALP-POS-ecbed2ba-19
0.505
EDJ-MED-6b23330e-2
0.505
EDJ-MED-0d144977-1
0.505
EDJ-MED-33064c06-1
0.500
PET-UNK-aa57768f-11
0.500
PET-UNK-aa57768f-12
0.500
MAT-POS-e20a5dfb-1
0.500
EDJ-MED-cc48ee33-3
0.500
MAT-POS-e20a5dfb-2
0.500
EDJ-MED-0d144977-2
0.500
EDJ-MED-0d144977-4
0.500
EDJ-MED-0d144977-5
0.500
EDJ-MED-976a33d5-3
0.500
PET-UNK-aa57768f-5
0.500
PET-UNK-aa57768f-6
0.500
ALP-POS-e0fe77e5-7
0.500
ALP-POS-477dc5b7-5
0.500
ALP-POS-c3a90b22-5
0.500
JAG-UCB-f37eaa14-1
0.500
VLA-UNK-70dd90ef-2
0.500
JAG-UCB-f37eaa14-8
0.500
EDJ-MED-33064c06-12
0.495
ALP-POS-c3a90b22-8
0.495
ALP-POS-ecbed2ba-13
0.495
MAT-POS-576f7758-2
0.495
EDJ-MED-33064c06-18
0.495
MAT-POS-e48723dc-1
0.495
MAT-POS-e48723dc-2
0.495
LUO-POS-e1dab717-2
0.495
EDJ-MED-976a33d5-1
0.495
MAT-POS-e75f6e44-5
0.495
MAT-POS-69786b79-1
0.495
MAT-POS-576f7758-1
0.495
EDJ-MED-40e596c8-1
0.495
LUO-POS-e1dab717-1
0.495
ALP-POS-ecbed2ba-7
0.495
LUO-POS-ed2cfb03-1
0.495