Molecular Properties | |
SMILES: | NC1=NN(C(=O)C2CCOc3ccc(Cl)cc32)C2C=CC=C(F)C12 |
MW: | 347.08 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 67.92 |
cLogP: | 2.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ALP-POS-6495d03e-8
0.531
ALP-POS-6495d03e-5
0.474
ALP-POS-79636100-1
0.469
ALP-POS-e2fddb0f-2
0.469
ALP-POS-6495d03e-4
0.465
ALP-POS-902f21bb-2
0.455
DAR-DIA-5a24bef0-1
0.437
ALP-POS-79636100-2
0.423
ALP-POS-6495d03e-1
0.422
ALP-POS-6495d03e-6
0.421
LON-WEI-0a73fcb8-5
0.415
NAU-LAT-64bf4c5d-2
0.414
ALP-POS-e2fddb0f-1
0.406
JAG-UCB-c61058a9-41
0.404
TAT-ENA-0e28ea53-1
0.400
MAT-POS-7ddaf7de-4
0.400
MAT-POS-b5c94171-1
0.400
JOH-UNI-1b27fa5e-7
0.400
ROB-UNI-569bc02e-2
0.396
MAT-POS-1f3c8e6f-1
0.396
JOH-UNI-1b27fa5e-6
0.392
NAU-LAT-8502cac5-15
0.390
NAU-LAT-8502cac5-11
0.390
ALP-POS-8b8a49e1-3
0.389
MIC-UNK-13557a72-2
0.388
MAT-POS-51833a24-5
0.387
JOH-SUS-a69c159d-4
0.387
PET-UNK-ee8352fa-5
0.385
VLA-UCB-05e51b3f-8
0.385
MIC-UNK-7574fcc6-2
0.385
VLA-UCB-50c39ae8-5
0.385
RAL-THA-3d7a794f-4
0.384
RAL-THA-b74298ba-1
0.384
JOH-SUS-a69c159d-5
0.383
JAN-GHE-f4ca5a00-23
0.382
NAU-LAT-b7d8c353-1
0.382
EDG-MED-5d232de5-1
0.381
JOH-SUS-a69c159d-2
0.381
JOH-UNI-1b27fa5e-5
0.381
ALP-POS-ce760d3f-7
0.381
ALP-POS-696356e4-1
0.381
EDG-MED-5d232de5-2
0.381
MAT-POS-a3f7f96a-2
0.380
JOH-UNI-f51e3bbc-2
0.380
ROB-UNI-569bc02e-8
0.379
RAL-THA-3d7a794f-3
0.379
MAT-POS-500f4700-1
0.379
EDJ-MED-51d3200d-4
0.379
PET-UNK-e274cad4-7
0.377
BEN-DND-a7517465-5
0.377
NAU-LAT-8502cac5-16
0.376
ERI-UCB-9c7ec71b-3
0.376
MAT-POS-a2421bb6-4
0.375
ALF-EVA-5b152d2f-4
0.374
ALF-EVA-5b152d2f-2
0.374
JOH-SUS-a69c159d-3
0.374
PET-UNK-03fd2068-1
0.374
LON-WEI-0a73fcb8-3
0.374
NIR-WEI-acbd6416-2
0.374
FRA-DIA-a1f3a927-1
0.374
JAG-UCB-52b62a6f-2
0.374
PET-UNK-158bee2a-7
0.374
PET-UNK-ee8352fa-6
0.373
LON-WEI-0a73fcb8-1
0.373
RAL-THA-3d7a794f-1
0.373
JAG-UCB-c61058a9-7
0.373
JAG-UCB-c61058a9-22
0.373
JAG-UCB-c61058a9-36
0.373
PET-UNK-3e029fdc-1
0.373
MIC-UNK-b12b7f76-1
0.373
MAT-POS-afb6844f-1
0.373
MAT-POS-8293a91a-1
0.373
BEN-DND-4f474d93-3
0.371
PET-UNK-b1ef24dc-7
0.371
BEN-DND-4f474d93-1
0.371
ALP-POS-ce760d3f-2
0.371
BEN-DND-02317c5c-3
0.371
MAT-POS-afb6844f-4
0.371
EDJ-MED-51d3200d-3
0.371
JAN-GHE-f4ca5a00-1
0.371
MAT-POS-51833a24-1
0.371
PET-UNK-b1ef24dc-5
0.371
MIC-UNK-42806bd5-4
0.371
NAU-LAT-b7d8c353-4
0.370
NAU-LAT-8502cac5-10
0.370
BEN-DND-b89db3f2-2
0.370
LON-WEI-0a73fcb8-2
0.369
LON-WEI-0a73fcb8-7
0.369
JAG-UCB-c61058a9-44
0.369
VLA-UCB-53bdeed6-3
0.369
VLA-UNK-0ffe3317-7
0.369
JAN-GHE-f4ca5a00-21
0.369
JOH-UNI-d0d90dc1-3
0.369
PET-UNK-158bee2a-5
0.369
EDJ-MED-ba7e64f2-1
0.368
RAL-THA-04c5403f-1
0.368
BEN-DND-c852c98b-4
0.368
RAL-THA-9041a04d-5
0.368
RAL-THA-9041a04d-6
0.368
MAT-POS-8293a91a-3
0.367