Molecular Properties | |
SMILES: | CN(Cc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc12)S(=O)(=O)CC1(C#N)CC1 |
MW: | 482.12 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 103.16 |
cLogP: | 4.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-df536be7-6
0.707
ALP-POS-d7944b10-3
0.697
ALP-POS-6479a3a9-1
0.697
BEN-DND-d1eb1f41-6
0.659
ALP-POS-d7944b10-9
0.651
BEN-DND-d1eb1f41-4
0.630
ALP-POS-d7944b10-11
0.630
ALP-POS-d7944b10-5
0.606
ALP-POS-bb8a3193-7
0.602
ALP-POS-6479a3a9-2
0.598
ALP-POS-d7944b10-7
0.594
ALP-POS-d7944b10-15
0.581
ALP-POS-d7944b10-6
0.571
ALP-POS-d7944b10-10
0.571
ALP-POS-d7944b10-13
0.570
ALP-POS-d7944b10-2
0.570
RAL-THA-2d450e86-28
0.562
PET-UNK-dd44aeb6-3
0.562
ALP-POS-d054b76b-5
0.560
ALP-POS-d7944b10-12
0.558
MIC-UNK-06e5f114-1
0.558
ALP-POS-d7944b10-17
0.558
ALP-POS-d7944b10-4
0.555
ALP-POS-d7944b10-14
0.551
ALP-POS-d7944b10-8
0.547
MIC-UNK-06e5f114-2
0.532
MIC-UNK-06e5f114-4
0.532
MIC-UNK-df9dcda8-2
0.529
ALP-POS-6479a3a9-4
0.526
RAL-THA-2d450e86-27
0.526
ALP-POS-d7944b10-18
0.523
RAL-THA-2d450e86-29
0.515
MAT-POS-3b92565d-1
0.515
MAT-POS-bbbbc21a-1
0.515
MIC-UNK-df9dcda8-1
0.515
MIC-UNK-06e5f114-3
0.513
RAL-THA-2d450e86-25
0.510
PET-UNK-dd44aeb6-1
0.510
RAL-THA-2d450e86-24
0.510
PET-UNK-dd44aeb6-2
0.510
ALP-POS-df536be7-5
0.490
MIC-UNK-df9dcda8-4
0.490
MIC-UNK-df9dcda8-3
0.490
ALP-POS-6479a3a9-3
0.481
ALP-POS-d7944b10-1
0.481
MIC-UNK-e8d6fb58-4
0.474
ALP-POS-bb8a3193-9
0.472
ALP-POS-bb8a3193-8
0.472
MIC-UNK-37660950-2
0.468
DAR-DIA-0cde14eb-59
0.467
RAL-THA-2d450e86-21
0.465
RAL-THA-2d450e86-40
0.459
RAL-THA-2d450e86-30
0.458
MAT-POS-bbbbc21a-3
0.458
MAT-POS-cc05818f-1
0.456
RAL-THA-2d450e86-17
0.456
MIC-UNK-e7433122-1
0.456
ALP-POS-d7944b10-16
0.455
ALP-POS-6479a3a9-5
0.453
MIC-UNK-37660950-4
0.453
PET-UNK-fe71d26d-1
0.452
PET-UNK-fe71d26d-3
0.452
MIC-UNK-37660950-1
0.452
ADA-UCB-6c2cb422-1
0.449
RAL-THA-2d450e86-33
0.449
RAL-THA-2d450e86-36
0.448
RAL-THA-2d450e86-2
0.448
MAK-UNK-919546f0-4
0.447
MAT-POS-2e8b2191-6
0.446
ALP-POS-c56c1477-4
0.446
MAT-POS-89bd6af1-1
0.446
PET-UNK-3c72d439-1
0.446
RAL-THA-2d450e86-6
0.446
RAL-THA-2d450e86-8
0.446
RAL-THA-2d450e86-15
0.446
RAL-THA-2d450e86-39
0.444
VLA-UNK-b9c208fe-1
0.443
MAT-POS-fce787c2-2
0.443
LON-WEI-9739a092-9
0.442
EDJ-MED-50011917-3
0.442
MIC-UNK-37660950-3
0.442
EDJ-MED-036ae2e9-12
0.442
MIC-UNK-644c43c7-3
0.440
NAU-LAT-2fed8305-5
0.440
RAL-THA-2d450e86-26
0.440
RAL-THA-1d44ff04-6
0.439
RAL-THA-1d44ff04-11
0.439
NAU-LAT-30527ac5-1
0.439
RAL-THA-1d44ff04-9
0.439
MAT-POS-dc2604c4-1
0.438
MAT-POS-e194df51-2
0.438
MAT-POS-e194df51-1
0.438
MIC-UNK-e8d6fb58-3
0.437
RAL-THA-2d450e86-22
0.437
MAT-POS-78e1d523-2
0.436
RAL-THA-2d450e86-20
0.436
MAT-POS-afd4d4fd-1
0.436
PET-UNK-6da3dcd8-8
0.435
EDJ-MED-b1cef252-2
0.435
MAT-POS-83a7b0a0-2
0.435