Molecular Properties | |
SMILES: | O=C1C(c2cccc(Cl)c2)CNN1c1cncc2ccccc12 |
MW: | 323.08 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 45.23 |
cLogP: | 3.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter20_hydrazine
PET-UNK-7b413b46-6
1.000
PET-UNK-7b413b46-5
0.737
PET-UNK-7b413b46-1
0.737
PET-UNK-abc197b8-1
0.630
VLA-UCB-1dbca3b4-18
0.630
VLA-UCB-1dbca3b4-6
0.580
PET-UNK-c9c1e0d8-3
0.578
EDG-MED-5d232de5-7
0.573
PET-UNK-c9c1e0d8-4
0.573
GIA-UNK-80c9bc96-1
0.573
EDG-MED-5d232de5-8
0.573
PET-UNK-689df078-1
0.553
VLA-UCB-1dbca3b4-10
0.553
PET-UNK-3e354a91-1
0.540
PET-UNK-7b413b46-4
0.540
PET-UNK-7b413b46-8
0.540
PET-UNK-5ddd54c7-2
0.540
PET-UNK-7a31b064-1
0.540
PET-UNK-7b413b46-3
0.534
PET-UNK-7b413b46-7
0.534
MIC-UNK-0a05c952-1
0.528
VLA-UCB-1dbca3b4-17
0.524
PET-UNK-4dc48bbe-6
0.524
MIC-UNK-0a05c952-2
0.522
PET-UNK-7a31b064-2
0.522
PET-UNK-689df078-3
0.512
PET-UNK-194f9da3-1
0.489
PET-UNK-689df078-4
0.489
BEN-DND-d1eb1f41-7
0.489
MAT-POS-24589f88-14
0.489
VLA-UNK-db5e3064-2
0.488
VLA-UNK-db5e3064-1
0.478
PET-UNK-689df078-2
0.478
PET-UNK-431b3bfb-1
0.478
ALP-UNI-58319883-2
0.478
PET-UNK-194f9da3-2
0.468
DAR-DIA-f6ee7aeb-1
0.465
DAR-DIA-f6ee7aeb-6
0.465
PET-UNK-5ddd54c7-1
0.453
MIC-UNK-d854bf4c-1
0.440
MIC-UNK-d854bf4c-3
0.440
DAR-DIA-0f7b7cd9-7
0.437
MIC-UNK-d854bf4c-7
0.436
MIC-UNK-d854bf4c-5
0.436
ALP-POS-e0fe77e5-1
0.433
ALP-UNI-3735e77e-1
0.433
MIC-UNK-9582b2c5-1
0.431
PET-UNK-7be94445-2
0.430
VLA-UCB-1dbca3b4-12
0.426
PET-UNK-4dc48bbe-8
0.425
ALP-POS-ce760d3f-8
0.422
PET-UNK-7be94445-1
0.420
VLA-UCB-1dbca3b4-3
0.420
DAR-DIA-0f7b7cd9-6
0.420
BEN-DND-d1eb1f41-15
0.419
MAT-POS-8695a11f-3
0.418
MAT-POS-8695a11f-1
0.418
MAT-POS-d8472c4f-1
0.418
MAT-POS-1f3f1a6f-5
0.416
MIC-UNK-50cce87d-9
0.411
BEN-BAS-c2bc0d80-3
0.410
PET-UNK-eda34f30-1
0.409
PET-UNK-e8933450-1
0.409
DAR-DIA-b80f1cd7-1
0.409
MIC-UNK-50cce87d-10
0.409
DAR-DIA-5d6f1b43-1
0.407
DAR-DIA-b80f1cd7-13
0.406
ALP-UNI-dbb9503d-1
0.404
MIC-UNK-0a05c952-3
0.404
DAR-DIA-6be260fc-3
0.404
DAR-DIA-0f7b7cd9-5
0.402
VLA-UCB-1dbca3b4-13
0.402
PET-UNK-94460c07-1
0.402
DAR-DIA-b80f1cd7-14
0.402
DAR-DIA-5d6f1b43-8
0.398
EDJ-MED-96f6b92c-1
0.396
DAR-DIA-5d6f1b43-5
0.396
DAR-DIA-b80f1cd7-3
0.394
MIC-UNK-50cce87d-12
0.394
MIC-UNK-50cce87d-5
0.394
DAR-DIA-5d6f1b43-12
0.392
MIC-UNK-50cce87d-11
0.392
MIC-UNK-0a05c952-4
0.392
PET-UNK-4dc48bbe-4
0.391
MIC-UNK-50cce87d-6
0.391
PET-UNK-4dc48bbe-1
0.391
DAR-DIA-b80f1cd7-6
0.390
DAR-DIA-b80f1cd7-11
0.388
DAR-DIA-b80f1cd7-10
0.388
ALP-UNI-dbb9503d-2
0.388
DAR-DIA-5d6f1b43-3
0.387
DAR-DIA-0f7b7cd9-4
0.387
DAR-DIA-b80f1cd7-12
0.385
MAT-POS-50a80394-4
0.383
VLA-UNK-70dd90ef-2
0.381
MIC-UNK-50cce87d-8
0.381
MIC-UNK-9582b2c5-3
0.381
DAR-DIA-b80f1cd7-4
0.381
VLA-UNK-cf7facf1-1
0.380
VLA-UCB-34f3ed0c-11
0.380