Molecular Properties | |
SMILES: | O=C1CO[C@@H](c2cccc(Cl)c2)C(=O)N1c1cncc2ccccc12 |
MW: | 352.06 |
Fraction sp3: | 0.11 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 59.5 |
cLogP: | 3.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
PET-UNK-689df078-2
1.000
VLA-UNK-db5e3064-2
0.642
VLA-UCB-1dbca3b4-6
0.622
PET-UNK-689df078-3
0.588
PET-UNK-431b3bfb-1
0.586
ALP-UNI-58319883-2
0.586
PET-UNK-689df078-4
0.581
PET-UNK-689df078-1
0.575
VLA-UCB-1dbca3b4-10
0.575
PET-UNK-5ddd54c7-1
0.554
PET-UNK-4dc48bbe-6
0.547
VLA-UCB-1dbca3b4-17
0.547
VLA-UCB-1dbca3b4-18
0.522
PET-UNK-abc197b8-1
0.522
PET-UNK-7a31b064-1
0.511
PET-UNK-7a31b064-2
0.511
MIC-UNK-0a05c952-1
0.484
MIC-UNK-0a05c952-2
0.479
PET-UNK-c9c1e0d8-3
0.478
BEN-DND-d1eb1f41-7
0.478
MAT-POS-24589f88-14
0.478
PET-UNK-7b413b46-6
0.478
PET-UNK-7b413b46-2
0.478
VLA-UCB-1dbca3b4-3
0.477
PET-UNK-7b413b46-1
0.473
PET-UNK-7b413b46-5
0.473
EDG-MED-5d232de5-8
0.473
EDG-MED-5d232de5-7
0.473
GIA-UNK-80c9bc96-1
0.473
PET-UNK-c9c1e0d8-4
0.473
PET-UNK-7b413b46-4
0.463
PET-UNK-7b413b46-8
0.463
PET-UNK-5ddd54c7-2
0.463
PET-UNK-3e354a91-1
0.463
VLA-UCB-1dbca3b4-12
0.461
VLA-UCB-1dbca3b4-13
0.457
PET-UNK-4dc48bbe-8
0.449
DAR-DIA-b80f1cd7-1
0.447
DAR-DIA-f6ee7aeb-6
0.443
PET-UNK-7b413b46-7
0.443
PET-UNK-7b413b46-3
0.443
MIC-UNK-9582b2c5-1
0.438
VLA-UNK-c65c1026-2
0.436
PET-UNK-194f9da3-1
0.434
PET-UNK-194f9da3-2
0.430
DAR-DIA-b80f1cd7-2
0.429
DAR-DIA-0f7b7cd9-7
0.429
DAR-DIA-b80f1cd7-13
0.427
MAT-POS-1f3f1a6f-5
0.424
DAR-DIA-b80f1cd7-11
0.423
VLA-UCB-05e51b3f-5
0.422
VLA-UCB-50c39ae8-2
0.422
BEN-BAS-c2bc0d80-6
0.422
MAT-POS-94643566-1
0.422
MIC-UNK-d854bf4c-3
0.419
MIC-UNK-d854bf4c-1
0.419
MIC-UNK-d854bf4c-7
0.415
MIC-UNK-d854bf4c-5
0.415
MAT-POS-d8472c4f-1
0.411
MAT-POS-8695a11f-3
0.411
DAR-DIA-0f7b7cd9-4
0.411
MAT-POS-8695a11f-1
0.411
VLA-UNK-70dd90ef-3
0.410
DAR-DIA-b80f1cd7-14
0.410
VLA-UNK-c65c1026-5
0.408
PET-UNK-7be94445-2
0.407
DAR-DIA-b80f1cd7-9
0.406
DAR-DIA-b80f1cd7-12
0.406
DAR-DIA-5d6f1b43-5
0.404
VLA-UNK-70dd90ef-2
0.404
DAR-DIA-f6ee7aeb-1
0.404
VLA-UCB-34f3ed0c-11
0.402
VLA-UNK-83c3754c-2
0.402
VLA-UNK-cf7facf1-1
0.402
VLA-UCB-29506327-1
0.402
DAR-DIA-b80f1cd7-3
0.402
PET-UNK-eeb64427-3
0.402
PET-UNK-eeb64427-6
0.402
MIC-UNK-eb20c3e1-4
0.398
DAR-DIA-b80f1cd7-6
0.398
DAR-DIA-b80f1cd7-7
0.398
JOH-MSK-1f2dff76-3
0.398
JOH-MSK-51c67e7d-1
0.398
JOH-MSK-51c67e7d-2
0.398
JOH-MSK-1f2dff76-4
0.398
ALP-UNI-dbb9503d-1
0.398
DAR-DIA-0f7b7cd9-6
0.398
PET-UNK-7be94445-1
0.398
MIC-UNK-eb20c3e1-1
0.396
DAR-DIA-b80f1cd7-10
0.396
VLA-UCB-05e51b3f-6
0.396
VLA-UCB-50c39ae8-3
0.396
VLA-UNK-c65c1026-4
0.396
VLA-UNK-83c3754c-1
0.396
VLA-UNK-70dd90ef-1
0.396
VLA-UNK-70dd90ef-4
0.396
DAR-DIA-5d6f1b43-3
0.396
DAR-DIA-0f7b7cd9-5
0.396
PET-UNK-94460c07-1
0.396
DAR-DIA-b80f1cd7-8
0.394