Molecular Properties | |
SMILES: | Cc1nn(C)c2c1c(N)nn2C(=O)C1CCOc2ccc(Cl)cc21 |
MW: | 345.1 |
Fraction sp3: | 0.31 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 87.96 |
cLogP: | 2.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N-Acyl substituted azoheterocycles
aniline
ALP-POS-6495d03e-5
0.573
ALP-POS-6495d03e-6
0.552
ALP-POS-902f21bb-2
0.549
ALP-POS-6495d03e-4
0.543
ALP-POS-79636100-1
0.533
ALP-POS-e2fddb0f-2
0.533
ALP-POS-79636100-2
0.526
ALP-POS-e2fddb0f-1
0.505
RAL-THA-3d7a794f-4
0.457
JAG-UCB-52b62a6f-14
0.455
MAT-POS-7ddaf7de-4
0.442
ALP-POS-6495d03e-8
0.441
MAT-POS-1f3c8e6f-1
0.438
RAL-THA-3d7a794f-3
0.433
DAR-DIA-6a508060-15
0.432
MAT-POS-a2421bb6-4
0.429
LON-WEI-0a73fcb8-5
0.429
TAT-ENA-0e28ea53-1
0.427
MAT-POS-b5c94171-1
0.427
RAL-THA-b74298ba-1
0.426
JAG-UCB-c61058a9-44
0.423
LON-WEI-0a73fcb8-7
0.423
DAR-DIA-5a24bef0-1
0.422
ALP-POS-6495d03e-2
0.422
ROB-UNI-569bc02e-2
0.421
JOH-SUS-a69c159d-1
0.420
ADA-UCB-dc2b944c-12
0.420
EDJ-MED-51d3200d-4
0.418
MAT-POS-500f4700-1
0.418
MAT-POS-b3e365b9-4
0.417
BRU-CON-c4e3408a-1
0.417
DAR-DIA-6a508060-6
0.417
JAG-UCB-c61058a9-41
0.417
NAU-LAT-b7d8c353-7
0.417
JAN-GHE-f4ca5a00-13
0.417
MAT-POS-b3e365b9-3
0.417
LON-WEI-0a73fcb8-4
0.416
PET-UNK-e274cad4-7
0.416
PET-UNK-158bee2a-7
0.415
MAT-POS-2bb0cf2b-2
0.413
EDJ-MED-fb4b7746-1
0.413
MAT-POS-8293a91a-1
0.412
JAG-UCB-c61058a9-36
0.412
NAU-LAT-64bf4c5d-2
0.412
JOH-UNI-1b27fa5e-7
0.412
MAT-POS-afb6844f-1
0.412
NAU-LAT-8502cac5-10
0.411
EDJ-MED-51d3200d-3
0.410
MAT-POS-afb6844f-3
0.410
ADA-UCB-dc2b944c-10
0.408
PET-UNK-e274cad4-2
0.408
DAR-DIA-6a508060-14
0.406
MAT-POS-afb6844f-2
0.404
RAL-THA-3d7a794f-2
0.404
RAL-THA-b74298ba-2
0.404
NAU-LAT-8502cac5-15
0.402
RAL-THA-b74298ba-3
0.402
ERI-UCB-9c7ec71b-3
0.402
EDG-MED-fe7487f8-9
0.402
BEN-DND-a7517465-2
0.402
MAT-POS-a2421bb6-3
0.400
JAG-UCB-52b62a6f-3
0.398
JAG-UCB-c61058a9-32
0.398
ROB-UNI-569bc02e-7
0.398
MAT-POS-51833a24-5
0.398
DAR-DIA-6a508060-16
0.398
RAL-THA-3d7a794f-1
0.398
PET-UNK-3e029fdc-1
0.398
MIC-UNK-b12b7f76-1
0.398
JAG-UCB-c61058a9-7
0.398
NAU-LAT-b7d8c353-8
0.396
MAK-UNK-8be7dca9-6
0.396
RAL-THA-b74298ba-4
0.396
VLA-UCB-50c39ae8-5
0.396
VLA-UCB-05e51b3f-8
0.396
MAT-POS-afb6844f-4
0.396
MAT-POS-14f31916-1
0.394
BEN-DND-a7517465-1
0.394
EDJ-MED-51d3200d-2
0.394
MAT-POS-d8472c4f-6
0.394
MAK-UNK-f481d203-2
0.394
MAK-UNK-919546f0-1
0.394
MAK-UNK-f481d203-1
0.394
JAN-GHE-f4ca5a00-21
0.394
NAU-LAT-b7d8c353-1
0.394
JOH-UNI-1b27fa5e-5
0.392
DAR-DIA-6a508060-1
0.392
MAT-POS-a3f7f96a-2
0.392
JAG-UCB-c61058a9-6
0.392
PET-UNK-ee8352fa-4
0.390
MAT-POS-8040981b-1
0.390
MAT-POS-14f31916-4
0.390
JAG-UCB-c61058a9-2
0.390
JAG-UCB-c61058a9-11
0.390
ROB-UNI-569bc02e-3
0.390
ROB-UNI-569bc02e-8
0.389
BEN-DND-c852c98b-9
0.389
BEN-DND-a7517465-9
0.389
MAT-POS-afb6844f-5
0.388
BEN-DND-a7517465-3
0.388