Molecular Properties | |
SMILES: | O=C1C(c2cccc(Cl)c2)CCNN1c1cncc2ccccc12 |
MW: | 337.1 |
Fraction sp3: | 0.16 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 45.23 |
cLogP: | 3.91 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter20_hydrazine
PET-UNK-7b413b46-1
1.000
PET-UNK-7b413b46-6
0.737
PET-UNK-7b413b46-2
0.737
PET-UNK-c9c1e0d8-3
0.607
EDG-MED-5d232de5-7
0.602
PET-UNK-c9c1e0d8-4
0.602
EDG-MED-5d232de5-8
0.602
GIA-UNK-80c9bc96-1
0.602
PET-UNK-689df078-1
0.600
VLA-UCB-1dbca3b4-10
0.600
VLA-UCB-1dbca3b4-6
0.571
PET-UNK-3e354a91-1
0.568
PET-UNK-7b413b46-7
0.562
PET-UNK-7b413b46-3
0.562
MIC-UNK-0a05c952-2
0.549
VLA-UCB-1dbca3b4-18
0.545
PET-UNK-abc197b8-1
0.545
PET-UNK-4dc48bbe-6
0.517
VLA-UCB-1dbca3b4-17
0.517
PET-UNK-7a31b064-1
0.516
PET-UNK-5ddd54c7-2
0.516
PET-UNK-7b413b46-4
0.516
PET-UNK-7b413b46-8
0.516
PET-UNK-7a31b064-2
0.516
PET-UNK-689df078-3
0.506
MIC-UNK-0a05c952-1
0.505
PET-UNK-689df078-4
0.484
DAR-DIA-f6ee7aeb-1
0.476
VLA-UNK-db5e3064-1
0.473
PET-UNK-689df078-2
0.473
BEN-DND-d1eb1f41-7
0.467
MAT-POS-24589f88-14
0.467
VLA-UNK-db5e3064-2
0.467
ALP-UNI-58319883-2
0.457
PET-UNK-431b3bfb-1
0.457
MIC-UNK-9582b2c5-1
0.456
PET-UNK-194f9da3-1
0.454
DAR-DIA-f6ee7aeb-6
0.448
MIC-UNK-d854bf4c-5
0.447
ALP-POS-e0fe77e5-1
0.446
ALP-UNI-3735e77e-1
0.446
MIC-UNK-50cce87d-9
0.438
MIC-UNK-d854bf4c-1
0.437
MIC-UNK-50cce87d-10
0.436
ALP-POS-ce760d3f-8
0.435
PET-UNK-5ddd54c7-1
0.434
PET-UNK-194f9da3-2
0.434
BEN-DND-d1eb1f41-15
0.432
PET-UNK-7be94445-2
0.427
MIC-UNK-d854bf4c-3
0.423
VLA-UCB-1dbca3b4-12
0.423
PET-UNK-4dc48bbe-8
0.422
MIC-UNK-50cce87d-5
0.421
MIC-UNK-50cce87d-12
0.420
MIC-UNK-50cce87d-6
0.419
MIC-UNK-d854bf4c-7
0.419
MIC-UNK-50cce87d-11
0.418
DAR-DIA-0f7b7cd9-7
0.418
MAT-POS-1f3f1a6f-5
0.413
MIC-UNK-50cce87d-8
0.408
DAR-DIA-5d6f1b43-1
0.404
MIC-UNK-0a05c952-4
0.404
DAR-DIA-0f7b7cd9-6
0.402
PET-UNK-7be94445-1
0.402
VLA-UCB-1dbca3b4-3
0.402
MIC-UNK-50cce87d-7
0.402
MAT-POS-d8472c4f-1
0.400
MAT-POS-8695a11f-3
0.400
MAT-POS-8695a11f-1
0.400
DAR-DIA-0f7b7cd9-5
0.400
BEN-BAS-c2bc0d80-3
0.394
DAR-DIA-5d6f1b43-5
0.394
DAR-DIA-b80f1cd7-1
0.392
PET-UNK-e8933450-1
0.392
ALP-UNI-dbb9503d-1
0.388
MIC-UNK-0a05c952-3
0.388
DAR-DIA-b80f1cd7-14
0.387
VLA-UCB-1dbca3b4-13
0.385
PET-UNK-94460c07-1
0.385
DAR-DIA-5d6f1b43-8
0.381
EDJ-MED-96f6b92c-1
0.380
VLA-UCB-eb340134-1
0.380
DAR-DIA-5d6f1b43-4
0.378
DAR-DIA-5d6f1b43-12
0.376
PET-UNK-4dc48bbe-4
0.375
DAR-DIA-6be260fc-3
0.375
DAR-DIA-b80f1cd7-10
0.374
ALP-UNI-dbb9503d-2
0.373
DAR-DIA-5d6f1b43-3
0.371
DAR-DIA-0f7b7cd9-4
0.371
DAR-DIA-b80f1cd7-12
0.370
DAR-DIA-b80f1cd7-4
0.367
MIC-UNK-9582b2c5-3
0.367
VLA-UNK-70dd90ef-2
0.366
EDJ-MED-e66f2cc5-1
0.366
VLA-UCB-34f3ed0c-11
0.365
VLA-UCB-29506327-1
0.365
VLA-UNK-cf7facf1-1
0.365
DAR-DIA-b80f1cd7-6
0.364
DAR-DIA-5d6f1b43-11
0.364