Molecular Properties | |
SMILES: | CS(=O)(=O)N1Cc2cc(F)c(Cl)cc2[C@H](C(=O)Nc2cncc3cnccc23)C1 |
MW: | 434.06 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 92.26 |
cLogP: | 2.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
ALP-POS-ce760d3f-3
MAT-POS-a5ef2d74-1
BEN-DND-4f474d93-1
EDJ-MED-00c1612e-1
EDJ-MED-670ad2ee-2
ADA-UCB-6c2cb422-1
MAT-POS-64942dd0-3
MAT-POS-dd3ad2b5-4
RAL-THA-2d450e86-6
PET-UNK-29afea89-2
EDJ-MED-611d11e7-10
EDJ-MED-611d11e7-12
MAT-POS-a5ef2d74-3
PET-UNK-9bf1291a-1
BEN-DND-4f474d93-2
MAT-POS-a13804f0-3
MAT-POS-b3e365b9-1
MAT-POS-bb423b95-1
MAT-POS-fc9ede84-1
PET-UNK-f4e47ebd-13
0.758
MAT-POS-64942dd0-3
0.756
PET-UNK-03fd2068-6
0.739
PET-UNK-f4e47ebd-10
0.711
PET-UNK-03fd2068-5
0.710
MAT-POS-64942dd0-2
0.710
MAT-POS-64942dd0-1
0.695
PET-UNK-f4e47ebd-15
0.691
PET-UNK-f4e47ebd-16
0.657
EDJ-MED-cf877e1d-1
0.610
BEN-DND-34fc7f90-4
0.589
EDJ-MED-1b5395f9-4
0.586
EDJ-MED-1b5395f9-5
0.586
EDJ-MED-1b5395f9-6
0.586
PET-UNK-9b23ef84-3
0.560
EDJ-MED-1b5395f9-2
0.553
EDJ-MED-1b5395f9-1
0.553
EDJ-MED-1b5395f9-3
0.553
PET-UNK-03fd2068-4
0.534
PET-UNK-f4e47ebd-9
0.529
MAT-POS-24589f88-3
0.525
MAT-POS-dd3ad2b5-4
0.525
MAT-POS-24589f88-2
0.525
PET-UNK-f4e47ebd-28
0.523
JUL-TUD-06b2044f-46
0.520
PET-UNK-f4e47ebd-6
0.520
PET-UNK-03fd2068-3
0.515
PET-UNK-9b23ef84-10
0.491
PET-UNK-f4e47ebd-11
0.491
PET-UNK-b38839dc-7
0.486
FRA-DIA-6238d354-2
0.481
BEN-DND-34fc7f90-1
0.480
BEN-DND-34fc7f90-7
0.480
PET-UNK-9b23ef84-7
0.478
PET-UNK-9b23ef84-15
0.478
PET-UNK-b38839dc-8
0.477
PET-UNK-7f7e354d-4
0.472
ALP-UNI-8d415491-3
0.470
PET-UNK-f4e47ebd-12
0.468
EDJ-MED-d1555997-1
0.467
PET-UNK-f4e47ebd-24
0.459
PET-UNK-1e13ef09-5
0.452
VLA-UNK-56836b69-4
0.451
EDJ-MED-d1555997-2
0.449
PET-UNK-b38839dc-6
0.449
PET-UNK-b1ef24dc-27
0.449
PET-UNK-b1ef24dc-28
0.444
PET-UNK-b78139fa-9
0.441
ROB-CAM-4c532489-1
0.440
PET-UNK-e274cad4-8
0.439
PET-UNK-b1ef24dc-25
0.435
ALP-POS-ce760d3f-2
0.433
BEN-DND-4f474d93-1
0.433
BEN-DND-4f474d93-3
0.433
PET-UNK-e274cad4-3
0.431
PET-UNK-b1ef24dc-26
0.431
PET-UNK-ff046148-4
0.431
BEN-DND-34fc7f90-3
0.430
MAT-POS-5cd9ea36-20
0.430
PET-UNK-2c6614b6-9
0.429
MAT-POS-4223bc15-1
0.427
MAT-POS-4223bc15-6
0.427
PET-UNK-1b92fa34-3
0.426
MAT-POS-5cd9ea36-17
0.425
BEN-DND-34fc7f90-8
0.425
BEN-DND-a02b439d-15
0.425
MAT-POS-4223bc15-31
0.424
MAT-POS-4223bc15-2
0.423
PET-UNK-d61f3ea6-2
0.423
PET-UNK-de87a406-1
0.422
BRU-THA-d60fe444-1
0.420
BRU-THA-98e973b9-1
0.420
JUL-TUD-06b2044f-47
0.420
EDJ-MED-841e0cf0-7
0.420
EDJ-MED-670ad2ee-10
0.420
EDJ-MED-670ad2ee-9
0.420
MAT-POS-5cd9ea36-10
0.419
MAT-POS-dd1fff26-1
0.419
MAT-POS-dd1fff26-2
0.419
MAT-POS-5cd9ea36-19
0.417
PET-UNK-af70882d-3
0.417
EDJ-MED-670ad2ee-7
0.416
BEN-DND-32596b04-7
0.416
EDJ-MED-841e0cf0-6
0.416
EDJ-MED-670ad2ee-8
0.416
EDJ-MED-1981ceba-2
0.416
XIA-UNK-50bd045a-1
0.415
MAT-POS-4223bc15-3
0.414
BEN-DND-a02b439d-11
0.414
PET-UNK-af70882d-2
0.414
MIC-UNK-54748b58-4
0.414
EDJ-MED-015fb6b4-3
0.412
MAT-POS-81ae2990-3
0.412
RAL-THA-ee48ba5f-5
0.411
BEN-DND-32596b04-8
0.410
ALF-EVA-07677224-2
0.410
MAT-POS-5c19d660-1
0.410
ALP-POS-e6e0c683-3
0.409
MAT-POS-5cd9ea36-4
0.409
MAT-POS-4223bc15-29
0.409