Molecular Properties | |
SMILES: | CNC(=O)CN1Cc2ccc(Cl)cc2C(C(=O)Nc2cncc3cc(CS(=O)(=O)N(C)C)ccc23)C1 |
MW: | 529.16 |
Fraction sp3: | 0.32 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 111.71 |
cLogP: | 2.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2021-08-07 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Hetero_hetero
EDJ-MED-4f4dd660-1
0.851
EDJ-MED-4f4dd660-3
0.835
ALP-POS-1460fd94-1
0.762
EDJ-MED-7889e8da-3
0.750
EDJ-MED-0186a59b-2
0.750
EDJ-MED-7889e8da-5
0.726
EDJ-MED-0186a59b-3
0.726
MAT-POS-b4d6b7fc-3
0.725
EDJ-MED-0186a59b-1
0.714
EDJ-MED-7889e8da-1
0.714
BEN-DND-f06bfa8e-2
0.714
ALP-POS-6f6ae286-5
0.714
MAT-POS-b4d6b7fc-1
0.706
EDJ-MED-4f4dd660-6
0.696
MAT-POS-8293a91a-5
0.689
MAT-POS-4223bc15-23
0.689
MAT-POS-8293a91a-4
0.689
PET-UNK-c6bcc80b-9
0.646
PET-UNK-c6bcc80b-2
0.646
MAT-POS-2e8b2191-10
0.623
MAT-POS-4223bc15-24
0.615
RAL-THA-ee48ba5f-2
0.613
MIC-UNK-51049f1a-4
0.613
EDJ-MED-ede277f6-6
0.607
EDJ-MED-ede277f6-8
0.607
MAT-POS-97ec4bd1-3
0.605
MAT-POS-13080fc6-5
0.600
EDJ-MED-ede277f6-4
0.595
MAT-POS-13080fc6-6
0.595
EDJ-MED-ede277f6-7
0.586
EDJ-MED-0186a59b-4
0.584
JOH-UNI-ededfdb6-1
0.584
MAT-POS-5cd9ea36-15
0.579
EDJ-MED-378a25ea-23
0.579
EDJ-MED-4f4dd660-2
0.579
MAT-POS-4223bc15-21
0.578
MAT-POS-4223bc15-25
0.578
EDJ-MED-c40d95bc-2
0.578
MAT-POS-4223bc15-22
0.571
MAT-POS-5cd9ea36-13
0.570
EDJ-MED-4f4dd660-4
0.569
EDJ-MED-c82a5324-3
0.569
EDJ-MED-c82a5324-2
0.569
NIR-WEI-dcc3321b-6
0.564
MIC-UNK-51049f1a-3
0.559
RAL-THA-ee48ba5f-5
0.554
EDJ-MED-fa7708b3-1
0.548
RAL-THA-ee48ba5f-1
0.548
JOH-UNI-ededfdb6-4
0.544
EDJ-MED-009f762b-5
0.543
MAT-POS-4223bc15-27
0.540
MAT-POS-4223bc15-2
0.540
RAL-THA-ee48ba5f-4
0.535
JOH-UNI-ededfdb6-9
0.534
EDJ-MED-e9a22d5d-1
0.531
MAT-UNK-f490e871-1
0.530
NIR-WEI-dcc3321b-5
0.528
EDJ-MED-c40d95bc-1
0.525
PET-UNK-162c14b2-1
0.522
MAT-POS-61f37a1a-12
0.522
MAT-UNK-35705829-1
0.521
MAT-POS-4223bc15-6
0.518
MAT-POS-5cd9ea36-19
0.517
MAT-UNK-04ae9652-1
0.517
PET-UNK-af70882d-3
0.517
PET-UNK-ff046148-4
0.517
EDJ-MED-12c4873b-3
0.513
MIC-UNK-482af05e-2
0.513
PET-UNK-03fd2068-4
0.513
MAT-POS-4223bc15-26
0.513
JOH-UNI-ededfdb6-2
0.513
MAT-POS-4223bc15-28
0.513
MAT-POS-5cd9ea36-16
0.513
PET-UNK-af70882d-2
0.513
MAT-POS-5cd9ea36-23
0.512
EDJ-MED-378a25ea-33
0.512
NIR-WEI-dcc3321b-1
0.512
BRU-THA-d60fe444-1
0.509
RAL-THA-ee48ba5f-6
0.508
CLI-TLC-36f34aa2-1
0.508
RAL-THA-ee48ba5f-3
0.508
NIR-WEI-dcc3321b-4
0.508
NIR-WEI-dcc3321b-2
0.508
MAT-POS-24589f88-2
0.504
MAT-POS-24589f88-3
0.504
MAT-POS-dd3ad2b5-4
0.504
MAT-POS-4223bc15-1
0.504
MIC-UNK-482af05e-1
0.504
PET-UNK-af70882d-4
0.504
EDJ-MED-76744c27-5
0.504
MAT-POS-5cd9ea36-20
0.504
ALF-EVA-0e90125c-4
0.504
EDJ-MED-7889e8da-4
0.500
EDJ-MED-be9e6f63-4
0.500
MAT-POS-51135489-1
0.500
MAT-POS-af1eef35-2
0.500
EDJ-MED-ede277f6-1
0.500
MAT-POS-5cd9ea36-21
0.500
EDJ-MED-e18764cb-3
0.500
EDJ-MED-378a25ea-1
0.496