Molecular Properties | |
SMILES: | CC1(C(=O)Nc2cncc3cc(F)ccc23)CN(CC(=O)NC2CC2)S(=O)(=O)c2ccc(Cl)cc21 |
MW: | 516.1 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 108.47 |
cLogP: | 3.21 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-09-30 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Activated haloaromatics
EDJ-MED-dac03e7f-7
0.880
EDJ-MED-3bfd841e-1
0.818
EDJ-MED-dac03e7f-2
0.774
EDJ-MED-dac03e7f-8
0.764
EDJ-MED-dac03e7f-5
0.764
EDG-MED-b8f93667-5
0.750
EDG-MED-b8f93667-7
0.726
EDG-MED-b8f93667-1
0.710
EDJ-MED-b2a1399d-3
0.700
EDG-MED-b8f93667-3
0.686
EDJ-MED-dac03e7f-3
0.681
EDJ-MED-c3ea9889-2
0.673
EDJ-MED-b2a1399d-4
0.649
EDJ-MED-c3ea9889-1
0.636
EDJ-MED-c3ea9889-3
0.625
MIK-ENA-f5fe7855-1
0.620
MIK-ENA-d22671f7-1
0.620
MIK-ENA-e76e31f3-1
0.620
MAT-POS-e119ab4f-5
0.620
LUO-POS-868e8996-1
0.620
LUO-POS-868e8996-2
0.620
EDJ-MED-dac03e7f-4
0.597
EDJ-MED-dac03e7f-1
0.588
EDG-MED-b8f93667-6
0.583
LUO-POS-c9faae85-1
0.580
MAT-POS-c88128cb-13
0.569
MAT-POS-c88128cb-5
0.566
LUO-POS-66f38ea0-1
0.566
PET-UNK-5ad1c31a-6
0.566
PET-UNK-5ad1c31a-12
0.566
EDG-MED-b8f93667-8
0.564
MAT-POS-83f73d0a-4
0.564
MAT-POS-c88128cb-9
0.555
PET-UNK-5ad1c31a-5
0.553
PET-UNK-5ad1c31a-11
0.553
MAT-POS-c88128cb-8
0.552
LUO-POS-3b937086-1
0.552
PET-UNK-6e612674-5
0.549
PET-UNK-6e612674-13
0.549
MAT-POS-c88128cb-4
0.544
EDG-MED-b8f93667-2
0.542
MAT-POS-c88128cb-10
0.542
MAT-POS-c88128cb-6
0.530
LUO-POS-e3baa4d7-1
0.530
MAT-POS-c88128cb-3
0.530
MAT-POS-c88128cb-7
0.517
EDG-MED-b8f93667-4
0.513
EDJ-MED-c3ea9889-4
0.513
MAT-POS-666635d5-1
0.513
PET-UNK-b78139fa-14
0.509
MAT-POS-83f73d0a-3
0.505
ALP-POS-6f6ae286-2
0.504
PET-UNK-4b4f2bb7-5
0.504
EDJ-MED-b2a1399d-2
0.496
PET-UNK-407a74a5-16
0.496
PET-UNK-6e612674-1
0.491
PET-UNK-6e612674-9
0.491
EDJ-MED-b2a1399d-1
0.480
EDJ-MED-ede277f6-7
0.480
EDJ-MED-e69ed63d-3
0.468
PET-UNK-b566c0b0-1
0.466
PET-UNK-407a74a5-11
0.466
JOH-UNI-06d7cc04-1
0.460
PET-UNK-407a74a5-9
0.458
PET-UNK-407a74a5-17
0.457
EDG-MED-ee636701-4
0.449
ALP-POS-6f6ae286-3
0.445
PET-UNK-5d7c542f-1
0.445
PET-UNK-6da3dcd8-12
0.445
JOH-UNI-06346b80-1
0.445
EDJ-MED-c3ea9889-6
0.444
PET-UNK-407a74a5-15
0.444
MIC-UNK-54748b58-2
0.444
PET-UNK-407a74a5-14
0.443
PET-UNK-407a74a5-12
0.442
EDJ-MED-e69ed63d-9
0.438
EDJ-MED-b7309adf-1
0.436
MAT-POS-86c60949-1
0.436
PET-UNK-2c6614b6-5
0.436
EDJ-MED-70ab3faf-2
0.433
PET-UNK-407a74a5-18
0.432
PET-UNK-6e612674-6
0.432
PET-UNK-6e612674-14
0.432
PET-UNK-6da3dcd8-20
0.431
PET-UNK-f9b7ae87-5
0.430
PET-UNK-81b485b5-6
0.430
PET-UNK-81b485b5-20
0.430
MAT-POS-c88128cb-12
0.429
PET-UNK-03fd2068-9
0.427
EDJ-MED-70ab3faf-3
0.427
PET-UNK-6da3dcd8-11
0.427
PET-UNK-6da3dcd8-14
0.427
PET-UNK-407a74a5-13
0.426
EDG-MED-ee636701-2
0.424
PET-UNK-b78139fa-5
0.422
PET-UNK-407a74a5-10
0.421
EDJ-MED-70ab3faf-1
0.419
MAT-POS-c88128cb-14
0.418
PET-UNK-6da3dcd8-18
0.418
PET-UNK-6da3dcd8-13
0.417