Molecular Properties | |
SMILES: | O=C1CN[C@@H](c2cccc(Cl)c2)C(=O)N1c1cncc2ccccc12 |
MW: | 351.08 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 62.3 |
cLogP: | 3.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
PET-UNK-4dc48bbe-6
0.667
VLA-UCB-1dbca3b4-17
0.667
VLA-UCB-1dbca3b4-6
0.625
PET-UNK-689df078-4
0.602
PET-UNK-689df078-1
0.595
VLA-UCB-1dbca3b4-10
0.595
VLA-UNK-db5e3064-1
0.588
PET-UNK-689df078-2
0.588
VLA-UCB-1dbca3b4-18
0.576
PET-UNK-abc197b8-1
0.576
PET-UNK-194f9da3-1
0.562
VLA-UNK-db5e3064-2
0.548
PET-UNK-7a31b064-1
0.545
PET-UNK-7a31b064-2
0.527
VLA-UCB-1dbca3b4-3
0.512
PET-UNK-7b413b46-2
0.512
PET-UNK-7b413b46-6
0.512
PET-UNK-7b413b46-1
0.506
PET-UNK-7b413b46-5
0.506
EDG-MED-5d232de5-8
0.489
VLA-UCB-1dbca3b4-13
0.489
EDG-MED-5d232de5-7
0.489
GIA-UNK-80c9bc96-1
0.489
PET-UNK-c9c1e0d8-4
0.489
MAT-POS-1f3f1a6f-5
0.488
ALP-UNI-58319883-2
0.484
PET-UNK-431b3bfb-1
0.484
PET-UNK-4dc48bbe-8
0.482
PET-UNK-7b413b46-8
0.478
PET-UNK-7b413b46-4
0.478
BEN-DND-d1eb1f41-7
0.478
MAT-POS-24589f88-14
0.478
PET-UNK-c9c1e0d8-3
0.478
VLA-UCB-1dbca3b4-12
0.475
PET-UNK-194f9da3-2
0.474
PET-UNK-5ddd54c7-2
0.462
PET-UNK-3e354a91-1
0.462
DAR-DIA-b80f1cd7-1
0.462
DAR-DIA-0f7b7cd9-7
0.460
PET-UNK-7b413b46-3
0.457
PET-UNK-7b413b46-7
0.457
MIC-UNK-0a05c952-1
0.453
DAR-DIA-b80f1cd7-10
0.450
MIC-UNK-0a05c952-2
0.448
VLA-UNK-70dd90ef-2
0.447
MIC-UNK-d854bf4c-1
0.446
PET-UNK-5ddd54c7-1
0.443
DAR-DIA-f6ee7aeb-6
0.442
DAR-DIA-b80f1cd7-2
0.442
MIC-UNK-9582b2c5-1
0.437
PET-UNK-7be94445-2
0.437
DAR-DIA-b80f1cd7-14
0.436
VLA-UNK-c65c1026-5
0.434
DAR-DIA-b80f1cd7-12
0.431
MIC-UNK-d854bf4c-3
0.431
PET-UNK-e8933450-1
0.430
VLA-UCB-34f3ed0c-11
0.429
VLA-UCB-29506327-1
0.429
VLA-MRT-8c78ee15-2
0.429
VLA-MRT-8c78ee15-1
0.429
VLA-MRT-a639d434-3
0.429
VLA-UNK-cf7facf1-1
0.429
MIC-UNK-d854bf4c-5
0.427
DAR-DIA-0f7b7cd9-6
0.427
PET-UNK-7be94445-1
0.427
DAR-DIA-b80f1cd7-13
0.426
YVE-CNR-7d92d73e-1
0.424
JOH-MSK-1f2dff76-4
0.424
JOH-MSK-51c67e7d-1
0.424
JOH-MSK-1f2dff76-3
0.424
JOH-MSK-51c67e7d-2
0.424
VLA-UNK-c65c1026-4
0.423
VLA-UNK-70dd90ef-1
0.423
VLA-UNK-70dd90ef-3
0.423
VLA-UNK-70dd90ef-4
0.423
VLA-UNK-83c3754c-1
0.423
VLA-UNK-ba665ac8-1
0.422
DAR-DIA-b80f1cd7-11
0.422
DAR-DIA-b80f1cd7-9
0.417
DAR-DIA-f6ee7aeb-1
0.415
MIC-UNK-d854bf4c-7
0.413
DAR-DIA-b80f1cd7-4
0.413
PET-UNK-4dc48bbe-4
0.413
DAR-DIA-b80f1cd7-5
0.410
DAR-DIA-b80f1cd7-6
0.410
DAR-DIA-0f7b7cd9-5
0.409
PET-UNK-94460c07-1
0.409
MAT-POS-d8472c4f-1
0.409
MAT-POS-8695a11f-3
0.409
MAT-POS-8695a11f-1
0.409
VLA-UNK-c65c1026-3
0.406
VLA-UNK-c65c1026-6
0.406
DAR-DIA-5d6f1b43-5
0.402
DAR-DIA-b80f1cd7-3
0.400
VLA-UNK-83c3754c-2
0.400
MIC-UNK-eb20c3e1-4
0.396
DAR-DIA-b80f1cd7-7
0.396
ALP-UNI-dbb9503d-1
0.396
MIC-UNK-eb20c3e1-1
0.394
VLA-UCB-34f3ed0c-12
0.394