Molecular Properties | |
SMILES: | O=C1C[C@]2(COc3cc(F)c(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 382.05 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 59.5 |
cLogP: | 3.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
VLA-UNK-3a43cd95-3
0.730
JAG-UCB-f37eaa14-1
0.634
VLA-UNK-3a43cd95-2
0.589
MAT-POS-94643566-1
0.567
VLA-UCB-50c39ae8-2
0.567
BEN-BAS-c2bc0d80-6
0.567
VLA-UCB-05e51b3f-5
0.567
VLA-UNK-c65c1026-2
0.551
VLA-UNK-3a43cd95-1
0.545
JOH-MSK-51c67e7d-1
0.510
JOH-MSK-51c67e7d-2
0.510
JOH-MSK-1f2dff76-4
0.495
JOH-MSK-1f2dff76-3
0.495
VLA-UNK-c65c1026-6
0.490
VLA-UCB-05e51b3f-6
0.476
VLA-UCB-50c39ae8-3
0.476
VLA-UNK-c65c1026-5
0.476
PET-UNK-626a1084-2
0.472
PET-UNK-626a1084-4
0.472
PET-UNK-626a1084-1
0.472
PET-UNK-626a1084-3
0.472
JOH-MSK-1f2dff76-1
0.468
JOH-MSK-1f2dff76-2
0.468
MAT-POS-1bed62cf-3
0.468
MAT-POS-1bed62cf-1
0.465
LUO-POS-868e8996-9
0.465
LUO-POS-868e8996-10
0.465
JAG-UCB-f37eaa14-3
0.461
PET-UNK-94036022-4
0.460
PET-UNK-94036022-11
0.460
PET-UNK-94036022-5
0.455
PET-UNK-94036022-12
0.455
12_-111-3e02a1cd-2
0.451
JOH-MSK-4bb3d434-2
0.451
PET-UNK-77d5678a-3
0.451
PET-UNK-77d5678a-6
0.451
VLA-UNK-70dd90ef-3
0.451
VLA-UNK-83c3754c-1
0.451
VLA-UNK-70dd90ef-4
0.451
VLA-UNK-c65c1026-3
0.448
PET-UNK-77d5678a-1
0.447
PET-UNK-77d5678a-4
0.447
PET-UNK-77d5678a-2
0.443
PET-UNK-77d5678a-5
0.443
12_-111-3e02a1cd-1
0.443
LUO-POS-868e8996-8
0.442
LUO-POS-868e8996-7
0.442
MAT-POS-1bed62cf-2
0.442
VLA-UNK-83c3754c-2
0.442
PET-UNK-6af7266d-2
0.439
PET-UNK-6af7266d-4
0.439
VLA-UCB-34f3ed0c-12
0.435
VLA-UNK-ba665ac8-1
0.435
VLA-UNK-c65c1026-1
0.434
VLA-UNK-56836b69-2
0.433
VLA-UNK-ba665ac8-2
0.427
MAT-POS-ec6d90b7-2
0.425
VLA-UNK-a5257d84-1
0.425
MAT-POS-90505e2b-1
0.425
MAT-POS-ec6d90b7-1
0.425
VLA-UNK-56836b69-3
0.417
VLA-UCB-34f3ed0c-11
0.415
VLA-UNK-cf7facf1-1
0.415
VLA-UCB-29506327-1
0.415
EDJ-MED-159244ea-1
0.411
MAT-POS-983b399a-1
0.411
ALP-POS-477dc5b7-4
0.411
VLA-UCB-34f3ed0c-18
0.410
VLA-UNK-c65c1026-4
0.410
VLA-UNK-56836b69-5
0.406
ALP-POS-e0fe77e5-4
0.404
PET-UNK-eeb64427-6
0.402
VLA-UNK-61877630-5
0.402
VLA-UNK-8e615992-2
0.402
PET-UNK-eeb64427-1
0.402
PET-UNK-eeb64427-3
0.402
PET-UNK-eeb64427-4
0.402
VLA-UNK-5d8210f0-2
0.402
PET-UNK-143b31ee-4
0.402
PET-UNK-143b31ee-1
0.402
MAT-POS-993cdc78-1
0.400
MAT-POS-993cdc78-2
0.400
ALP-POS-fe871b40-11
0.400
BEN-BAS-c2bc0d80-7
0.400
ADA-UCB-dc2b944c-1
0.398
PET-UNK-143b31ee-6
0.398
PET-UNK-143b31ee-3
0.398
VLA-UNK-f2612802-2
0.398
YVE-CNR-7d92d73e-1
0.398
MAT-POS-1f3f1a6f-5
0.394
VLA-UNK-61877630-8
0.393
VLA-UNK-e334495f-2
0.393
VLA-UCB-1dbca3b4-6
0.386
ALP-POS-41e2080f-1
0.385
EDJ-MED-94fddcec-4
0.385
EDJ-MED-d4864bdc-3
0.385
BEN-DND-d1eb1f41-15
0.385
MAT-POS-e20a5dfb-1
0.384
MAT-POS-e20a5dfb-2
0.384
ALP-POS-477dc5b7-5
0.384