Molecular Properties | |
SMILES: | O=C(Nc1cncc2cnccc12)[C@@H]1CS(=O)(=O)Cc2ccc(Cl)cc21 |
MW: | 387.04 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 89.02 |
cLogP: | 2.93 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
PET-UNK-1e13ef09-6
0.738
PET-UNK-1b92fa34-1
0.735
PET-UNK-1e13ef09-1
0.701
PET-UNK-1b92fa34-2
0.678
PET-UNK-1e13ef09-3
0.670
ALP-POS-e6e0c683-4
0.641
PET-UNK-1e13ef09-2
0.641
PET-UNK-1e13ef09-4
0.634
PET-UNK-b78139fa-9
0.628
PET-UNK-b1ef24dc-20
0.622
PET-UNK-b1ef24dc-19
0.622
PET-UNK-329a9ce9-1
0.621
PET-UNK-329a9ce9-2
0.615
PET-UNK-b1ef24dc-17
0.611
PET-UNK-b1ef24dc-18
0.611
PET-UNK-329a9ce9-3
0.608
PET-UNK-e274cad4-10
0.604
PET-UNK-329a9ce9-4
0.602
PET-UNK-e274cad4-5
0.591
PET-UNK-f4e47ebd-10
0.581
PET-UNK-2c6614b6-9
0.554
BEN-DND-4f474d93-1
0.527
BEN-DND-4f474d93-3
0.527
ALP-POS-ce760d3f-2
0.527
PET-UNK-1b92fa34-3
0.500
BEN-DND-34fc7f90-4
0.485
BEN-DND-34fc7f90-1
0.484
BEN-DND-34fc7f90-7
0.484
PET-UNK-1b92fa34-4
0.480
PET-UNK-b566c0b0-5
0.480
ALP-UNI-8d415491-3
0.474
MAT-POS-1a13cd81-1
0.471
PET-UNK-f4e47ebd-6
0.465
PET-UNK-b78139fa-8
0.459
VLA-UNK-56836b69-4
0.454
PET-UNK-f4e47ebd-14
0.452
PET-UNK-022eab87-1
0.443
PET-UNK-c0891748-4
0.440
PET-UNK-c0891748-10
0.440
MAT-POS-dd3ad2b5-1
0.436
BEN-DND-f2e727cd-6
0.436
JUL-TUD-06b2044f-46
0.436
MAT-POS-d8472c4f-5
0.434
MIC-UNK-91acba05-4
0.434
BEN-DND-f2e727cd-4
0.434
BEN-DND-f2e727cd-5
0.434
ALP-POS-477dc5b7-1
0.434
MAT-POS-3ccb8ef6-1
0.434
MAT-POS-3ccb8ef6-2
0.434
ALP-UNI-c3ef0aba-2
0.434
PET-UNK-b78139fa-6
0.430
MAT-POS-dd3ad2b5-5
0.429
PET-UNK-b78139fa-18
0.426
ROB-UNI-322e8f70-2
0.426
PET-UNK-b78139fa-5
0.426
PET-UNK-f4e47ebd-9
0.419
PET-UNK-b78139fa-2
0.419
EDJ-MED-4fff0a85-4
0.416
MAT-POS-bf364d7a-4
0.416
MAT-POS-bf364d7a-3
0.416
PET-UNK-b78139fa-7
0.416
EDJ-MED-e9a22d5d-1
0.415
MAR-UCB-6ab2ec87-1
0.414
PET-UNK-9b23ef84-2
0.413
MAT-POS-24589f88-3
0.413
MAT-POS-dd3ad2b5-2
0.413
MAT-POS-dd3ad2b5-4
0.413
MAT-POS-4223bc15-19
0.413
RAL-THA-6e4c80cf-1
0.413
MAT-POS-24589f88-2
0.413
MAT-POS-dd3ad2b5-3
0.413
PET-UNK-2c6614b6-8
0.408
JUL-TUD-06b2044f-51
0.406
EDJ-MED-c40d95bc-2
0.406
MAT-POS-4223bc15-25
0.406
PET-UNK-162c14b2-1
0.406
MAT-POS-4223bc15-21
0.406
MAT-POS-61f37a1a-12
0.406
MAT-POS-4223bc15-18
0.406
PET-UNK-4b4f2bb7-9
0.406
MAT-POS-5cd9ea36-20
0.405
MAT-UNK-04ae9652-1
0.405
MAT-POS-4223bc15-22
0.404
EDJ-MED-1981ceba-2
0.404
CLI-TLC-3a13eaf2-1
0.404
MIC-UNK-482af05e-1
0.404
MAT-POS-bb423b95-1
0.402
MAT-POS-4223bc15-1
0.402
MAT-POS-4223bc15-3
0.402
MAT-POS-4223bc15-6
0.402
MAT-POS-4223bc15-17
0.402
RAL-THA-952697e1-2
0.402
EDJ-MED-12c4873b-7
0.402
RAL-THA-952697e1-1
0.402
MAT-POS-5cd9ea36-2
0.400
MAT-POS-4223bc15-15
0.400
EDJ-MED-f9b78f78-5
0.400
RAL-THA-952697e1-3
0.398
MAT-POS-4223bc15-38
0.398
EDJ-MED-12c4873b-5
0.398