Molecular Properties | |
SMILES: | O=C1NCC2(CNc3ccc(Cl)cc32)C(=O)N1c1cncc2ccccc12 |
MW: | 378.09 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 1 |
TPSA: | 74.33 |
cLogP: | 3.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UNK-c65c1026-3
0.682
VLA-UNK-70dd90ef-1
0.636
VLA-UNK-c65c1026-6
0.626
JAG-UCB-f37eaa14-2
0.622
DAR-DIA-6be260fc-1
0.622
YVE-CNR-7d92d73e-1
0.615
VLA-UCB-34f3ed0c-12
0.606
DAR-DIA-6be260fc-6
0.585
PET-UNK-eeb64427-2
0.574
PET-UNK-eeb64427-5
0.574
PET-UNK-4c71d490-5
0.538
PET-UNK-4c71d490-1
0.538
PET-UNK-143b31ee-5
0.532
PET-UNK-143b31ee-2
0.532
VLA-UNK-70dd90ef-2
0.527
DAR-DIA-6be260fc-5
0.526
PET-UNK-4c71d490-2
0.523
PET-UNK-4c71d490-6
0.523
DAR-DIA-6be260fc-4
0.515
VLA-MRT-a639d434-3
0.505
VLA-MRT-8c78ee15-2
0.505
VLA-MRT-8c78ee15-1
0.505
JOH-MSK-1f2dff76-4
0.500
DAR-DIA-6be260fc-3
0.500
VLA-UNK-70dd90ef-3
0.500
JOH-MSK-1f2dff76-3
0.500
ALP-POS-e0fe77e5-13
0.495
BRU-THA-55eab31a-1
0.485
VLA-UNK-83c3754c-1
0.485
VLA-UNK-70dd90ef-4
0.485
DAR-DIA-6be260fc-2
0.480
VLA-UCB-29506327-1
0.475
VLA-UNK-cf7facf1-1
0.475
VLA-UCB-34f3ed0c-11
0.475
JOH-MSK-51c67e7d-1
0.470
JOH-MSK-51c67e7d-2
0.470
MAT-POS-a9372f04-1
0.459
VLA-MRT-a639d434-2
0.457
VLA-MRT-8c78ee15-4
0.457
BEN-BAS-c2bc0d80-6
0.451
MAT-POS-94643566-1
0.451
VLA-UCB-05e51b3f-5
0.451
VLA-UNK-c65c1026-2
0.451
VLA-UCB-50c39ae8-2
0.451
MAT-POS-1bed62cf-3
0.444
JOH-MSK-1f2dff76-1
0.444
JOH-MSK-1f2dff76-2
0.444
MAT-POS-ddfe83c6-4
0.444
VLA-MRT-8c78ee15-3
0.444
VLA-MRT-a639d434-1
0.444
YVE-CNR-132fc2df-1
0.441
JOH-MSK-4bb3d434-3
0.440
VLA-UCB-05e51b3f-6
0.438
VLA-UCB-50c39ae8-3
0.438
PET-UNK-94036022-11
0.438
PET-UNK-94036022-4
0.438
VLA-UNK-c65c1026-5
0.437
PET-UNK-4dc48bbe-8
0.435
PET-UNK-94036022-5
0.432
PET-UNK-94036022-12
0.432
VLA-UCB-1dbca3b4-17
0.432
PET-UNK-4dc48bbe-6
0.432
VLA-UNK-83c3754c-2
0.431
VLA-UCB-1dbca3b4-18
0.429
PET-UNK-abc197b8-1
0.429
PET-UNK-eeb64427-3
0.429
PET-UNK-eeb64427-6
0.429
VLA-UNK-3a43cd95-2
0.427
MAT-POS-90505e2b-1
0.427
MAT-POS-ec6d90b7-1
0.427
MAT-POS-ec6d90b7-2
0.427
VLA-UNK-ba665ac8-1
0.425
PET-UNK-689df078-3
0.423
PET-UNK-626a1084-2
0.422
PET-UNK-626a1084-3
0.422
PET-UNK-626a1084-1
0.422
PET-UNK-626a1084-4
0.422
VLA-UNK-56836b69-5
0.422
PET-UNK-77d5678a-2
0.421
12_-111-3e02a1cd-1
0.421
PET-UNK-77d5678a-5
0.421
EDJ-MED-7587a9ee-1
0.421
MAT-POS-2e8b2191-8
0.421
EDJ-MED-2f867453-1
0.420
VLA-UNK-3a43cd95-1
0.419
PET-UNK-94036022-14
0.418
PET-UNK-94036022-7
0.418
LUO-POS-868e8996-9
0.417
LUO-POS-868e8996-10
0.417
MAT-POS-1bed62cf-1
0.417
VLA-UCB-1dbca3b4-6
0.417
VLA-UNK-ba665ac8-2
0.417
PET-UNK-eeb64427-4
0.416
12_-111-3e02a1cd-2
0.416
JOH-MSK-4bb3d434-2
0.416
PET-UNK-77d5678a-6
0.416
PET-UNK-eeb64427-1
0.416
PET-UNK-77d5678a-3
0.416
BEN-BAS-c2bc0d80-7
0.415
VLA-UCB-1dbca3b4-3
0.415