Molecular Properties | |
SMILES: | N#CC1(CS(=O)(=O)NCc2cc(Cl)c(Cl)cc2CC(=O)Nc2cncc3ccccc23)CC1 |
MW: | 502.06 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 111.95 |
cLogP: | 4.45 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-6479a3a9-1
0.769
ALP-POS-d7944b10-3
0.769
ALP-POS-d7944b10-11
0.690
ALP-POS-df536be7-5
0.686
ALP-POS-d7944b10-9
0.680
ALP-POS-bb8a3193-6
0.602
ALP-POS-d7944b10-5
0.600
ALP-POS-bb8a3193-2
0.584
ALP-POS-6479a3a9-4
0.561
ALP-POS-d7944b10-4
0.547
ALP-POS-d7944b10-13
0.533
ALP-POS-6479a3a9-2
0.526
ALP-POS-d054b76b-5
0.509
BEN-DND-d1eb1f41-4
0.505
RAL-THA-2d450e86-28
0.505
PET-UNK-dd44aeb6-3
0.505
ALP-POS-d7944b10-12
0.505
ALP-POS-d7944b10-17
0.505
ALP-POS-df536be7-6
0.500
RAL-THA-2d450e86-24
0.500
ALP-POS-d7944b10-14
0.500
PET-UNK-dd44aeb6-2
0.500
RAL-THA-2d450e86-36
0.500
RAL-THA-2d450e86-21
0.500
BEN-DND-d1eb1f41-6
0.500
ALP-POS-6479a3a9-5
0.495
ALP-POS-d7944b10-7
0.495
ALP-POS-d7944b10-10
0.491
ALP-POS-d7944b10-15
0.486
DAR-DIA-0cde14eb-59
0.485
PET-UNK-dd44aeb6-1
0.484
RAL-THA-2d450e86-25
0.484
RAL-THA-2d450e86-27
0.484
MAT-POS-23a8a11a-1
0.484
RAL-THA-2d450e86-2
0.483
MAK-UNK-919546f0-4
0.483
RAL-THA-2d450e86-40
0.478
MAT-POS-afd4d4fd-3
0.478
RAL-THA-2d450e86-34
0.478
BEN-DND-a88ffd65-2
0.477
ALP-POS-d7944b10-6
0.477
MIC-UNK-df9dcda8-2
0.475
MIC-UNK-df9dcda8-1
0.475
VLA-UNK-b9c208fe-1
0.475
MAT-POS-cc05818f-1
0.474
RAL-THA-2d450e86-17
0.474
ALP-POS-d7944b10-2
0.471
MAT-POS-afd4d4fd-1
0.468
RAL-THA-2d450e86-20
0.468
RAL-THA-2d450e86-19
0.468
RAL-THA-2d450e86-33
0.467
RAL-THA-2d450e86-37
0.467
PET-UNK-6da3dcd8-9
0.466
MIC-UNK-df9dcda8-3
0.464
RAL-THA-2d450e86-6
0.463
RAL-THA-2d450e86-8
0.463
RAL-THA-2d450e86-9
0.463
RAL-THA-2d450e86-12
0.463
VLA-UNK-b9c208fe-2
0.462
MIC-UNK-06e5f114-1
0.462
MAT-POS-fce787c2-2
0.462
RAL-THA-2d450e86-30
0.462
PET-UNK-6da3dcd8-10
0.461
MAT-POS-89bd6af1-1
0.461
ALP-POS-c56c1477-4
0.461
MAT-POS-bbbbc21a-3
0.461
ALP-POS-d7944b10-18
0.459
MAT-POS-bbbbc21a-1
0.459
MAT-POS-3b92565d-1
0.459
RAL-THA-2d450e86-29
0.459
MAK-UNK-c749d764-32
0.458
VLA-UNK-9a7dc93f-1
0.458
NAU-LAT-2fed8305-5
0.457
RAL-THA-2d450e86-23
0.457
RAL-THA-2d450e86-26
0.457
ALP-POS-6479a3a9-3
0.456
ALP-POS-d7944b10-1
0.456
RAL-THA-1d44ff04-9
0.455
NAU-LAT-30527ac5-1
0.455
MIC-UNK-06e5f114-4
0.455
DAR-DIA-0cde14eb-47
0.455
ALP-POS-d7944b10-8
0.454
RAL-THA-2d450e86-22
0.454
ADA-UCB-6c2cb422-1
0.452
RAL-THA-2d450e86-5
0.452
NAU-LAT-2fed8305-9
0.452
ALP-POS-bb8a3193-1
0.451
RAL-THA-2d450e86-38
0.451
MIC-UNK-df9dcda8-4
0.450
MAT-POS-89bd6af1-2
0.449
MAT-POS-83a7b0a0-2
0.449
EDJ-MED-b1cef252-2
0.449
PET-UNK-6da3dcd8-8
0.449
PET-UNK-1e7f2e90-1
0.446
DAR-DIA-0cde14eb-48
0.444
MAT-POS-fce787c2-1
0.444
DAR-DIA-0cde14eb-46
0.444
EDJ-MED-036ae2e9-12
0.443
PET-UNK-fe71d26d-1
0.443
PET-UNK-fe71d26d-3
0.443