Molecular Properties | |
SMILES: | O=C1N(c2cncc3ccccc23)C(=O)[C@@]2(CCOc3ccc(Cl)cc32)N1Cc1cc[nH]n1 |
MW: | 459.11 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 91.42 |
cLogP: | 4.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
VLA-UNK-f702bf1c-1
0.806
VLA-UNK-f702bf1c-3
0.762
VLA-UNK-f702bf1c-8
0.691
VLA-UCB-34f3ed0c-15
0.679
VLA-UNK-f702bf1c-7
0.679
VLA-UNK-f702bf1c-6
0.673
VLA-UCB-34f3ed0c-14
0.673
VLA-UNK-f702bf1c-4
0.670
VLA-UNK-f702bf1c-5
0.652
BEN-BAS-c2bc0d80-7
0.635
VLA-UCB-34f3ed0c-16
0.632
VLA-UNK-ba665ac8-2
0.573
VLA-UNK-83c3754c-2
0.537
VLA-UCB-34f3ed0c-18
0.528
VLA-UCB-34f3ed0c-11
0.523
VLA-UCB-29506327-1
0.523
VLA-UNK-cf7facf1-1
0.523
ADA-UCB-dc2b944c-1
0.516
ALP-POS-477dc5b7-4
0.505
MAT-POS-ec6d90b7-2
0.505
MAT-POS-90505e2b-1
0.505
EDJ-MED-159244ea-1
0.505
MAT-POS-ec6d90b7-1
0.505
MAT-POS-983b399a-1
0.505
VLA-UCB-34f3ed0c-17
0.504
MAT-POS-94643566-1
0.500
VLA-UCB-05e51b3f-5
0.500
VLA-UCB-05e51b3f-6
0.500
VLA-UCB-50c39ae8-3
0.500
VLA-UCB-50c39ae8-2
0.500
VLA-UNK-ba665ac8-1
0.500
VLA-UCB-34f3ed0c-12
0.500
BEN-BAS-c2bc0d80-6
0.500
JOH-MSK-b735e33c-1
0.492
DAR-DIA-0f7b7cd9-9
0.478
VLA-UNK-56836b69-3
0.470
VLA-UNK-83c3754c-1
0.464
VLA-UNK-70dd90ef-4
0.464
MAT-POS-e20a5dfb-2
0.462
ALP-POS-477dc5b7-5
0.462
ALP-POS-e0fe77e5-7
0.462
MAT-POS-e20a5dfb-1
0.462
DAR-DIA-0f7b7cd9-8
0.461
VLA-UNK-c65c1026-2
0.461
BEN-BAS-c2bc0d80-3
0.457
BRU-THA-73c97d88-1
0.452
VLA-UNK-c65c1026-6
0.448
VLA-UNK-c65c1026-5
0.448
JAG-UCB-f37eaa14-3
0.447
VLA-UCB-34f3ed0c-3
0.444
EDJ-MED-159244ea-3
0.443
MAT-POS-983b399a-3
0.443
EDJ-MED-24007d8a-2
0.441
DAR-DIA-b80f1cd7-13
0.441
DAR-DIA-b80f1cd7-11
0.437
EDG-MED-4c68219f-15
0.437
EDJ-MED-159244ea-2
0.435
MAT-POS-983b399a-2
0.435
VLA-UCB-34f3ed0c-10
0.434
DAR-DIA-b80f1cd7-9
0.433
EDJ-MED-cbbe2dbb-3
0.425
DAR-DIA-b80f1cd7-14
0.425
DAR-DIA-b80f1cd7-10
0.425
VLA-UCB-34f3ed0c-4
0.422
DAR-DIA-b80f1cd7-12
0.421
EDJ-MED-24007d8a-1
0.421
VLA-UNK-3a43cd95-1
0.420
EDJ-MED-dbcb2afb-1
0.420
VLA-UCB-34f3ed0c-8
0.419
EDJ-MED-a6bd6de0-1
0.415
EDJ-MED-b0f3342b-1
0.415
VLA-UNK-c65c1026-1
0.412
MAT-POS-2bb0cf2b-1
0.412
MAT-POS-e6dd326d-1
0.412
EDG-MED-971238d3-5
0.412
MAT-POS-45b13633-1
0.412
EDJ-MED-cbbe2dbb-4
0.408
EDJ-MED-cbbe2dbb-2
0.407
VLA-UNK-3a43cd95-3
0.405
EDJ-MED-d4864bdc-3
0.403
EDJ-MED-94fddcec-4
0.403
ALP-POS-41e2080f-1
0.403
DAR-DIA-b80f1cd7-6
0.403
DAR-DIA-b80f1cd7-7
0.403
EDJ-MED-cbbe2dbb-1
0.403
MIC-UNK-7b6fe9e8-1
0.403
DAR-DIA-ecdbc7dd-13
0.402
JAG-UCB-f37eaa14-5
0.402
DAR-DIA-b80f1cd7-8
0.400
KAD-UNI-8a629cb0-46
0.400
EDJ-MED-7587a9ee-1
0.398
MAT-POS-2e8b2191-8
0.398
VLA-UNK-56836b69-2
0.398
MAT-POS-e6dd326d-2
0.397
MAT-POS-45b13633-2
0.397
ALP-UNI-76695c4f-10
0.396
KAD-UNI-8a629cb0-31
0.396
DAR-DIA-b80f1cd7-3
0.395
DAR-DIA-ecdbc7dd-4
0.395
EDG-MED-ba1ac7b9-10
0.394