Molecular Properties | |
SMILES: | O=C1C(c2cccc(Cl)c2)N(CC2CCCCC2)C(=O)N1c1cncc2ccccc12 |
MW: | 433.16 |
Fraction sp3: | 0.32 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 53.51 |
cLogP: | 5.98 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
PET-UNK-689df078-4
0.547
VLA-UCB-1dbca3b4-17
0.500
PET-UNK-4dc48bbe-6
0.500
PET-UNK-7a31b064-1
0.500
PET-UNK-7a31b064-2
0.500
VLA-UCB-1dbca3b4-10
0.495
PET-UNK-689df078-1
0.495
VLA-UCB-1dbca3b4-6
0.485
VLA-UNK-db5e3064-2
0.485
VLA-UCB-1dbca3b4-18
0.480
PET-UNK-abc197b8-1
0.480
PET-UNK-689df078-3
0.475
MAT-POS-24589f88-14
0.470
BEN-DND-d1eb1f41-7
0.470
VLA-UNK-db5e3064-1
0.461
PET-UNK-689df078-2
0.461
VLA-UCB-34f3ed0c-14
0.445
VLA-UNK-f702bf1c-6
0.445
DAR-DIA-b80f1cd7-1
0.441
PET-UNK-c9c1e0d8-3
0.441
PET-UNK-194f9da3-2
0.439
PET-UNK-7b413b46-7
0.438
PET-UNK-7b413b46-3
0.438
EDG-MED-5d232de5-8
0.436
EDG-MED-5d232de5-7
0.436
GIA-UNK-80c9bc96-1
0.436
PET-UNK-c9c1e0d8-4
0.436
MIC-UNK-0a05c952-2
0.430
DAR-DIA-b80f1cd7-8
0.430
PET-UNK-7b413b46-4
0.429
PET-UNK-7b413b46-8
0.429
PET-UNK-7b413b46-6
0.426
PET-UNK-7b413b46-2
0.426
VLA-UCB-1dbca3b4-3
0.424
PET-UNK-7b413b46-1
0.423
PET-UNK-7b413b46-5
0.423
DAR-DIA-b80f1cd7-7
0.421
ADA-UCB-dc2b944c-1
0.419
DAR-DIA-b80f1cd7-9
0.416
PET-UNK-3e354a91-1
0.415
MIC-UNK-d854bf4c-7
0.412
MIC-UNK-d854bf4c-5
0.412
DAR-DIA-b80f1cd7-2
0.411
VLA-UCB-1dbca3b4-13
0.408
DAR-DIA-b80f1cd7-10
0.407
PET-UNK-431b3bfb-1
0.406
ALP-UNI-58319883-2
0.406
MIC-UNK-d854bf4c-3
0.404
MIC-UNK-d854bf4c-1
0.404
PET-UNK-5ddd54c7-2
0.402
PET-UNK-4dc48bbe-8
0.400
DAR-DIA-b80f1cd7-13
0.398
MIC-UNK-9582b2c5-1
0.397
DAR-DIA-b80f1cd7-5
0.397
DAR-DIA-b80f1cd7-11
0.395
DAR-DIA-b80f1cd7-14
0.395
MIC-UNK-0a05c952-1
0.394
MAT-POS-1f3f1a6f-5
0.392
DAR-DIA-b80f1cd7-12
0.391
PET-UNK-194f9da3-1
0.391
DAR-DIA-b80f1cd7-4
0.388
DAR-DIA-b80f1cd7-3
0.388
PET-UNK-5ddd54c7-1
0.387
DAR-DIA-b80f1cd7-6
0.385
PET-UNK-7be94445-1
0.382
DAR-DIA-0f7b7cd9-7
0.382
DAR-DIA-0f7b7cd9-4
0.381
DAR-DIA-0f7b7cd9-5
0.381
PET-UNK-7be94445-2
0.376
DAR-DIA-5d6f1b43-12
0.373
ERI-UCB-ce40166b-22
0.369
VLA-UNK-83c3754c-1
0.369
VLA-UNK-70dd90ef-4
0.369
VLA-UNK-c65c1026-4
0.369
DAR-DIA-0f7b7cd9-6
0.369
DAR-DIA-f6ee7aeb-6
0.367
MAT-POS-173a45da-1
0.366
MAT-POS-ddfe83c6-5
0.364
VLA-UCB-05e51b3f-14
0.363
VLA-UCB-29506327-1
0.363
VLA-UNK-cf7facf1-1
0.363
VLA-UCB-34f3ed0c-11
0.363
EDJ-MED-c314995a-1
0.363
YVE-CNR-7d92d73e-1
0.360
EDJ-MED-24007d8a-1
0.358
VLA-UNK-70dd90ef-1
0.357
VLA-UNK-70dd90ef-3
0.357
DAR-DIA-f6ee7aeb-1
0.355
MAT-POS-8695a11f-3
0.355
MAT-POS-8695a11f-1
0.355
MAT-POS-d8472c4f-1
0.355
PET-UNK-94036022-13
0.354
PET-UNK-94036022-6
0.354
DAR-DIA-5d6f1b43-10
0.354
VLA-UCB-34f3ed0c-17
0.354
MIC-UNK-c66144cb-3
0.353
ALP-POS-3b848b35-4
0.353
VLA-MRT-a639d434-2
0.353
VLA-MRT-8c78ee15-4
0.353
MIC-UNK-c85ea37c-1
0.353