Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1(CS(=O)(=O)CCO)CCOc2ccc(Cl)cc21 |
MW: | 460.09 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 105.59 |
cLogP: | 2.95 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-02-28 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Long aliphatic chain
MAT-POS-b3e365b9-1
RAL-THA-e002e396-2
0.854
RAL-THA-e002e396-1
0.813
RAL-THA-e002e396-6
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RAL-THA-e002e396-5
0.787
RAL-THA-e002e396-7
0.779
RAL-THA-e002e396-3
0.755
EDG-MED-971238d3-2
0.739
MAT-POS-9db1e783-2
0.739
EDG-MED-971238d3-3
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MAT-POS-45b13633-4
0.734
RAL-THA-58fba2bc-1
0.734
EDG-MED-971238d3-10
0.734
RAL-THA-58fba2bc-3
0.734
MAT-POS-e6dd326d-4
0.729
RAL-THA-e002e396-4
0.725
RAL-THA-e002e396-9
0.725
MAT-POS-e6dd326d-2
0.723
MAT-POS-45b13633-2
0.723
EDG-MED-971238d3-6
0.716
EDG-MED-971238d3-5
0.713
MAT-POS-2bb0cf2b-1
0.713
MAT-POS-e6dd326d-1
0.713
MAT-POS-45b13633-1
0.713
RAL-THA-e002e396-10
0.712
EDG-MED-971238d3-8
0.711
MAT-POS-f9802937-5
0.711
MAT-POS-5d65ec79-2
0.711
MAT-POS-f9802937-6
0.711
MAT-POS-5d65ec79-1
0.704
MAT-POS-45b13633-5
0.704
MAT-POS-f9802937-3
0.704
MAT-POS-f9802937-4
0.704
EDJ-MED-424a8a89-2
0.704
EDJ-MED-15e90dfc-7
0.703
MAT-POS-e6dd326d-5
0.700
JAG-UCB-706446eb-3
0.698
EDG-MED-971238d3-9
0.698
EDJ-MED-f893e2a1-8
0.694
MAT-POS-e6dd326d-9
0.694
DAR-DIA-6a508060-13
0.693
MAT-POS-e6dd326d-3
0.691
MAT-POS-45b13633-3
0.691
DAR-DIA-ecdbc7dd-13
0.691
RAL-THA-e002e396-11
0.684
MAT-POS-e6dd326d-8
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MAT-POS-e6dd326d-11
0.680
MAT-POS-e6dd326d-12
0.680
ALP-POS-477dc5b7-3
0.680
EDG-MED-ba1ac7b9-2
0.679
EDG-MED-971238d3-7
0.677
DAR-DIA-ecdbc7dd-4
0.677
EDG-MED-ba1ac7b9-3
0.676
MAT-POS-e6dd326d-6
0.673
EDJ-MED-28ec730d-2
0.670
EDJ-MED-f893e2a1-3
0.670
EDJ-MED-d203f206-34
0.664
EDJ-MED-40433386-4
0.663
DAR-DIA-ecdbc7dd-3
0.663
RAL-THA-e002e396-12
0.663
MAT-POS-e6dd326d-10
0.660
EDJ-MED-40433386-10
0.660
EDJ-MED-424a8a89-1
0.660
MAT-POS-e6dd326d-13
0.660
DAR-DIA-ecdbc7dd-16
0.660
EDJ-MED-15e90dfc-3
0.660
EDJ-MED-8c98ee63-1
0.657
EDJ-MED-4c7486ba-4
0.654
EDG-MED-70ae9412-2
0.654
ALP-POS-9c80c481-1
0.654
MAT-POS-e6dd326d-7
0.654
EDJ-MED-4c7486ba-1
0.654
EDJ-MED-d203f206-19
0.651
EDJ-MED-28ec730d-1
0.650
DAR-DIA-ecdbc7dd-5
0.650
RAL-THA-e002e396-13
0.650
DAR-DIA-ecdbc7dd-11
0.650
EDJ-MED-d203f206-7
0.648
EDG-MED-ba1ac7b9-6
0.648
EDJ-MED-f893e2a1-9
0.648
EDJ-MED-15e90dfc-5
0.648
ALP-UNI-8e43a71e-16
0.645
ALP-UNI-3496895b-16
0.645
CHO-MSK-a31cca77-1
0.645
EDJ-MED-40433386-5
0.645
EDJ-MED-d203f206-1
0.645
CHO-MSK-a31cca77-4
0.645
EDJ-MED-d203f206-20
0.645
EDJ-MED-d203f206-2
0.645
JAG-UCB-706446eb-2
0.644
JAG-UCB-706446eb-4
0.644
KAD-UNI-8a629cb0-17
0.643
KAD-UNI-80f122c8-5
0.643
EDG-MED-ba1ac7b9-30
0.643
ALP-UNI-3496895b-9
0.643
ALP-UNI-76695c4f-8
0.643
ALP-UNI-8e43a71e-9
0.643
EDJ-MED-00143744-2
0.642
KAD-UNI-b13decd3-3
0.642
EDG-MED-ba1ac7b9-1
0.642
MAT-POS-24589f88-12
0.642