Molecular Properties | |
SMILES: | COCCN1CC(C)(C(=O)Nc2cncc3cc(F)ccc23)c2cc(Cl)ccc2S1(=O)=O |
MW: | 477.09 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 88.6 |
cLogP: | 3.57 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-09-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Activated haloaromatics
ALP-POS-1cbc2fae-1
LUO-POS-c9faae85-1
0.832
EDG-MED-b8f93667-2
0.767
LUO-POS-e3baa4d7-1
0.760
MAT-POS-c88128cb-3
0.760
EDJ-MED-3bfd841e-1
0.752
EDG-MED-b8f93667-3
0.742
EDG-MED-b8f93667-5
0.738
EDG-MED-b8f93667-7
0.731
EDJ-MED-dac03e7f-5
0.720
EDJ-MED-dac03e7f-6
0.710
EDJ-MED-dac03e7f-8
0.704
EDJ-MED-dac03e7f-7
0.697
PET-UNK-6e612674-5
0.638
PET-UNK-6e612674-13
0.638
EDJ-MED-c3ea9889-2
0.613
MAT-POS-c88128cb-6
0.600
MAT-POS-c88128cb-13
0.585
EDJ-MED-c3ea9889-1
0.580
MAT-POS-83f73d0a-4
0.579
EDG-MED-b8f93667-6
0.570
EDJ-MED-c3ea9889-3
0.570
PET-UNK-b78139fa-14
0.566
EDG-MED-b8f93667-8
0.565
MAT-POS-e119ab4f-5
0.564
MIK-ENA-e76e31f3-1
0.564
MIK-ENA-d22671f7-1
0.564
LUO-POS-868e8996-2
0.564
LUO-POS-868e8996-1
0.564
MIK-ENA-f5fe7855-1
0.564
EDJ-MED-b2a1399d-3
0.559
MAT-POS-c88128cb-4
0.559
EDG-MED-b8f93667-4
0.555
MAT-POS-c88128cb-5
0.554
LUO-POS-66f38ea0-1
0.554
PET-UNK-5ad1c31a-5
0.554
PET-UNK-5ad1c31a-11
0.554
PET-UNK-5ad1c31a-12
0.554
PET-UNK-5ad1c31a-6
0.554
MAT-POS-c88128cb-8
0.553
LUO-POS-3b937086-1
0.553
EDJ-MED-dac03e7f-1
0.550
MAT-POS-83f73d0a-3
0.547
PET-UNK-4b4f2bb7-5
0.545
EDJ-MED-dac03e7f-4
0.545
PET-UNK-6e612674-1
0.545
PET-UNK-6e612674-9
0.545
ALP-POS-6f6ae286-2
0.545
MAT-POS-c88128cb-7
0.543
MAT-POS-c88128cb-9
0.542
EDJ-MED-dac03e7f-2
0.542
EDJ-MED-dac03e7f-3
0.533
MAT-POS-c88128cb-10
0.517
PET-UNK-6e612674-6
0.509
PET-UNK-6e612674-14
0.509
PET-UNK-407a74a5-16
0.509
PET-UNK-5d7c542f-1
0.509
ALP-POS-6f6ae286-3
0.509
EDJ-MED-b2a1399d-2
0.508
PET-UNK-b566c0b0-1
0.504
EDJ-MED-b2a1399d-4
0.500
EDJ-MED-b2a1399d-1
0.492
PET-UNK-03fd2068-9
0.487
PET-UNK-6da3dcd8-18
0.484
PET-UNK-407a74a5-17
0.482
PET-UNK-81b485b5-20
0.478
PET-UNK-81b485b5-6
0.478
PET-UNK-407a74a5-11
0.478
MAT-POS-666635d5-1
0.475
PET-UNK-6e612674-7
0.475
EDJ-MED-c3ea9889-4
0.475
PET-UNK-6e612674-15
0.475
PET-UNK-b566c0b0-9
0.471
PET-UNK-407a74a5-9
0.470
PET-UNK-f9b7ae87-5
0.466
PET-UNK-6e612674-8
0.463
PET-UNK-6e612674-16
0.463
PET-UNK-1abb40f2-2
0.461
PET-UNK-1abb40f2-4
0.461
PET-UNK-bcc8fd08-6
0.459
PET-UNK-bcc8fd08-3
0.458
PET-UNK-6da3dcd8-12
0.457
PET-UNK-407a74a5-15
0.456
PET-UNK-407a74a5-14
0.454
PET-UNK-6da3dcd8-15
0.453
MAT-POS-c88128cb-12
0.452
EDJ-MED-70ab3faf-2
0.444
EDJ-MED-c3ea9889-6
0.443
PET-UNK-03fd2068-11
0.443
MIC-UNK-54748b58-2
0.443
PET-UNK-6da3dcd8-20
0.441
PET-UNK-03fd2068-8
0.441
PET-UNK-407a74a5-12
0.441
PET-UNK-5ad1c31a-3
0.439
PET-UNK-5ad1c31a-4
0.439
PET-UNK-5ad1c31a-9
0.439
PET-UNK-5ad1c31a-10
0.439
PET-UNK-6da3dcd8-11
0.438
PET-UNK-6da3dcd8-14
0.438
JOH-UNI-06d7cc04-1
0.435
PET-UNK-407a74a5-10
0.432