Molecular Properties | |
SMILES: | CC1(C(=O)Nc2cncc3cc(F)ccc23)CN(CC(=O)NC2COC2)S(=O)(=O)c2ccc(Cl)cc21 |
MW: | 532.1 |
Fraction sp3: | 0.29 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 117.7 |
cLogP: | 2.44 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-09-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Activated haloaromatics
Oxetanes, thietanes
EDJ-MED-dac03e7f-6
0.880
EDJ-MED-3bfd841e-1
0.802
EDJ-MED-b2a1399d-3
0.800
EDJ-MED-dac03e7f-3
0.778
EDG-MED-b8f93667-7
0.762
EDJ-MED-dac03e7f-5
0.750
EDJ-MED-dac03e7f-8
0.750
EDJ-MED-b2a1399d-4
0.745
EDG-MED-b8f93667-5
0.720
EDG-MED-b8f93667-1
0.697
EDJ-MED-dac03e7f-2
0.681
EDJ-MED-c3ea9889-2
0.676
EDG-MED-b8f93667-3
0.673
EDJ-MED-c3ea9889-1
0.625
EDJ-MED-c3ea9889-3
0.614
MIK-ENA-d22671f7-1
0.609
MAT-POS-e119ab4f-5
0.609
LUO-POS-868e8996-1
0.609
MIK-ENA-e76e31f3-1
0.609
MIK-ENA-f5fe7855-1
0.609
LUO-POS-868e8996-2
0.609
EDG-MED-b8f93667-8
0.595
EDJ-MED-dac03e7f-4
0.587
LUO-POS-c9faae85-1
0.584
LUO-POS-3b937086-1
0.583
MAT-POS-c88128cb-8
0.583
EDJ-MED-dac03e7f-1
0.579
EDG-MED-b8f93667-6
0.559
MAT-POS-c88128cb-13
0.559
PET-UNK-5ad1c31a-6
0.557
PET-UNK-5ad1c31a-12
0.557
MAT-POS-83f73d0a-4
0.554
PET-UNK-6e612674-5
0.553
PET-UNK-6e612674-13
0.553
MAT-POS-c88128cb-9
0.545
PET-UNK-5ad1c31a-5
0.543
MAT-POS-c88128cb-5
0.543
LUO-POS-66f38ea0-1
0.543
PET-UNK-5ad1c31a-11
0.543
MAT-POS-c88128cb-4
0.534
EDG-MED-b8f93667-2
0.533
EDG-MED-ee636701-4
0.525
MAT-POS-c88128cb-3
0.521
MAT-POS-c88128cb-6
0.521
LUO-POS-e3baa4d7-1
0.521
MAT-POS-c88128cb-10
0.520
MAT-POS-c88128cb-7
0.508
EDG-MED-b8f93667-4
0.504
MAT-POS-666635d5-1
0.504
EDJ-MED-c3ea9889-4
0.504
PET-UNK-b78139fa-14
0.500
MAT-POS-83f73d0a-3
0.496
EDJ-MED-b2a1399d-2
0.488
PET-UNK-407a74a5-16
0.487
PET-UNK-4b4f2bb7-5
0.483
ALP-POS-6f6ae286-2
0.483
PET-UNK-6e612674-1
0.483
PET-UNK-6e612674-9
0.483
EDJ-MED-e69ed63d-6
0.476
EDJ-MED-b2a1399d-1
0.472
PET-UNK-407a74a5-9
0.462
PET-UNK-407a74a5-11
0.458
PET-UNK-b566c0b0-1
0.458
JOH-UNI-06d7cc04-1
0.452
PET-UNK-5d7c542f-1
0.450
ALP-POS-6f6ae286-3
0.450
PET-UNK-407a74a5-15
0.449
EDJ-MED-c3ea9889-6
0.449
PET-UNK-407a74a5-17
0.449
PET-UNK-6e612674-6
0.449
PET-UNK-6e612674-14
0.449
JOH-UNI-06346b80-1
0.438
PET-UNK-6da3dcd8-12
0.438
MIC-UNK-54748b58-2
0.437
PET-UNK-407a74a5-14
0.435
PET-UNK-407a74a5-12
0.434
PET-UNK-81b485b5-6
0.434
PET-UNK-81b485b5-20
0.434
PET-UNK-6e612674-8
0.433
PET-UNK-6e612674-16
0.433
EDG-MED-ee636701-2
0.429
PET-UNK-407a74a5-10
0.426
EDJ-MED-70ab3faf-2
0.426
PET-UNK-407a74a5-18
0.425
PET-UNK-f9b7ae87-5
0.423
MAT-POS-c88128cb-12
0.421
EDJ-MED-9537a89a-1
0.421
PET-UNK-03fd2068-9
0.421
PET-UNK-6da3dcd8-11
0.421
PET-UNK-6da3dcd8-14
0.421
EDJ-MED-70ab3faf-3
0.421
PET-UNK-407a74a5-13
0.419
PET-UNK-2c6614b6-5
0.417
MAT-POS-86c60949-1
0.417
EDJ-MED-b7309adf-1
0.417
PET-UNK-bcc8fd08-3
0.416
EDJ-MED-ede277f6-7
0.415
PET-UNK-b78139fa-5
0.415
PET-UNK-6da3dcd8-20
0.414
EDJ-MED-70ab3faf-1
0.412