Molecular Properties | |
SMILES: | CS(=O)(=O)NCc1c(F)cc(F)cc1CC(=O)Nc1cncc2ccccc12 |
MW: | 405.1 |
Fraction sp3: | 0.16 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 88.16 |
cLogP: | 2.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-df536be7-5
0.593
RAL-THA-2d450e86-26
0.573
ALP-POS-6479a3a9-2
0.573
RAL-THA-2d450e86-37
0.570
MIC-UNK-df9dcda8-1
0.568
RAL-THA-2d450e86-16
0.562
RAL-THA-1d44ff04-9
0.562
MIC-UNK-df9dcda8-2
0.533
RAL-THA-2d450e86-25
0.529
PET-UNK-dd44aeb6-1
0.529
RAL-THA-2d450e86-35
0.524
RAL-THA-2d450e86-23
0.518
RAL-THA-2d450e86-29
0.517
MAT-POS-bbbbc21a-1
0.517
MAT-POS-3b92565d-1
0.517
MAK-UNK-919546f0-4
0.512
RAL-THA-2d450e86-38
0.512
RAL-THA-2d450e86-7
0.512
RAL-THA-2d450e86-10
0.512
RAL-THA-2d450e86-24
0.512
PET-UNK-dd44aeb6-2
0.512
RAL-THA-2d450e86-27
0.512
MAT-POS-afd4d4fd-3
0.506
RAL-THA-2d450e86-39
0.506
RAL-THA-2d450e86-14
0.506
ALP-POS-df536be7-6
0.495
RAL-THA-2d450e86-19
0.494
NAU-LAT-2fed8305-9
0.494
RAL-THA-2d450e86-36
0.494
MIC-UNK-df9dcda8-4
0.489
RAL-THA-2d450e86-9
0.489
RAL-THA-2d450e86-6
0.489
VLA-UNK-b9c208fe-2
0.488
BEN-DND-d1eb1f41-4
0.484
VLA-UNK-9a7dc93f-1
0.483
PET-UNK-bb7ffe78-1
0.483
MAK-UNK-c749d764-32
0.483
RAL-THA-2d450e86-3
0.482
RAL-THA-2d450e86-1
0.481
MIC-UNK-e7433122-1
0.480
BEN-DND-d1eb1f41-6
0.478
MAT-POS-afd4d4fd-1
0.477
RAL-THA-2d450e86-20
0.477
RAL-THA-2d450e86-2
0.476
ALP-POS-d7944b10-7
0.475
MIC-UNK-df9dcda8-3
0.473
RAL-THA-2d450e86-31
0.472
MAK-UNK-c749d764-11
0.472
RAL-THA-2d450e86-40
0.471
RAL-THA-2d450e86-13
0.471
PET-UNK-c9c1e0d8-1
0.471
RAL-THA-2d450e86-34
0.471
RAL-THA-2d450e86-30
0.471
MAT-POS-fce787c2-2
0.471
MIC-UNK-06e5f114-1
0.470
RAL-THA-2d450e86-28
0.467
PET-UNK-dd44aeb6-3
0.467
ALP-POS-d7944b10-15
0.466
MIC-UNK-37660950-2
0.465
RAL-THA-2d450e86-4
0.465
BAR-COM-0f94fc3d-47
0.463
VLA-UNK-9a7dc93f-2
0.462
RAL-THA-2d450e86-22
0.462
MIC-UNK-06e5f114-2
0.462
MAT-POS-23a8a11a-1
0.460
RAL-THA-2d450e86-33
0.460
ADA-UCB-6c2cb422-1
0.460
RAL-THA-2d450e86-5
0.460
NAU-LAT-2fed8305-6
0.460
RAL-THA-2d450e86-32
0.460
ALP-POS-f13221e1-1
0.457
RAL-THA-1d44ff04-3
0.457
ALP-POS-d7944b10-6
0.456
RAL-THA-2d450e86-11
0.456
RAL-THA-2d450e86-8
0.456
RAL-THA-2d450e86-15
0.456
ALP-POS-d7944b10-17
0.455
ALP-POS-d7944b10-12
0.455
MAT-POS-bbbbc21a-3
0.454
MAT-POS-fce787c2-1
0.452
MIC-UNK-16ccb665-3
0.452
PET-UNK-bb7ffe78-3
0.452
NAU-LAT-2fed8305-5
0.449
ALP-POS-d7944b10-1
0.449
ALP-POS-6479a3a9-3
0.449
ALP-POS-d7944b10-2
0.449
MIC-UNK-37660950-4
0.449
RAL-THA-1d44ff04-6
0.448
RAL-THA-1d44ff04-11
0.448
PET-UNK-8c422e11-2
0.448
NAU-LAT-30527ac5-1
0.448
ALP-POS-d7944b10-5
0.448
MIC-UNK-37660950-1
0.448
RAL-THA-1d44ff04-10
0.447
RAL-THA-2d450e86-21
0.446
MIC-UNK-e8d6fb58-4
0.444
MIC-UNK-e8d6fb58-3
0.444
ALP-POS-d7944b10-13
0.443
NIR-THE-d08c3b48-1
0.443
VLA-UCB-05e51b3f-1
0.443