Molecular Properties | |
SMILES: | O=C1CN(Cc2cccc(Cl)c2)C(=O)N1c1cncc2ccccc12 |
MW: | 351.08 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 53.51 |
cLogP: | 3.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
DAR-DIA-b80f1cd7-2
0.725
VLA-UCB-1dbca3b4-3
0.620
DAR-DIA-b80f1cd7-4
0.609
DAR-DIA-b80f1cd7-3
0.591
DAR-DIA-0f7b7cd9-5
0.590
DAR-DIA-b80f1cd7-5
0.585
DAR-DIA-b80f1cd7-6
0.585
DAR-DIA-b80f1cd7-7
0.585
DAR-DIA-b80f1cd7-8
0.579
DAR-DIA-b80f1cd7-11
0.553
DAR-DIA-0f7b7cd9-4
0.553
DAR-DIA-b80f1cd7-12
0.547
DAR-DIA-b80f1cd7-13
0.543
DAR-DIA-b80f1cd7-10
0.537
DAR-DIA-b80f1cd7-14
0.537
DAR-DIA-b80f1cd7-9
0.531
VLA-UCB-1dbca3b4-13
0.517
DAR-DIA-0f7b7cd9-7
0.506
PET-UNK-689df078-4
0.506
PET-UNK-7a31b064-2
0.474
VLA-UCB-1dbca3b4-6
0.472
PET-UNK-689df078-3
0.462
PET-UNK-7a31b064-1
0.457
VLA-UCB-1dbca3b4-17
0.456
PET-UNK-4dc48bbe-6
0.456
PET-UNK-689df078-1
0.452
VLA-UCB-1dbca3b4-10
0.452
VLA-UNK-db5e3064-1
0.447
PET-UNK-689df078-2
0.447
VLA-UCB-1dbca3b4-12
0.441
VLA-UNK-db5e3064-2
0.440
PET-UNK-abc197b8-1
0.436
VLA-UCB-1dbca3b4-18
0.436
PET-UNK-7be94445-2
0.432
PET-UNK-7be94445-1
0.422
ADA-UCB-6c2cb422-1
0.414
PET-UNK-7b413b46-2
0.409
PET-UNK-7b413b46-6
0.409
PET-UNK-7b413b46-3
0.408
PET-UNK-7b413b46-7
0.408
DAR-DIA-0f7b7cd9-6
0.407
MAT-POS-d8472c4f-1
0.404
MAT-POS-8695a11f-1
0.404
MAT-POS-8695a11f-3
0.404
GIA-UNK-80c9bc96-1
0.404
PET-UNK-c9c1e0d8-4
0.404
EDG-MED-5d232de5-7
0.404
EDG-MED-5d232de5-8
0.404
VLA-UNK-c65c1026-4
0.404
VLA-UNK-c65c1026-3
0.402
PET-UNK-7b413b46-4
0.398
PET-UNK-7b413b46-8
0.398
VLA-UNK-ba665ac8-2
0.396
VLA-UNK-cf7facf1-1
0.396
VLA-UCB-29506327-1
0.396
VLA-UCB-34f3ed0c-11
0.396
PET-UNK-c9c1e0d8-3
0.396
PET-UNK-4dc48bbe-8
0.396
DAR-DIA-5d6f1b43-12
0.394
DAR-DIA-5d6f1b43-1
0.394
DAR-DIA-0f7b7cd9-3
0.393
JOH-MSK-51c67e7d-1
0.392
JOH-MSK-51c67e7d-2
0.392
PET-UNK-7b413b46-5
0.392
JUL-TUD-06b2044f-112
0.392
PET-UNK-7b413b46-1
0.392
VLA-UNK-70dd90ef-3
0.390
MIC-UNK-0a05c952-1
0.390
DAR-DIA-5d6f1b43-3
0.389
PET-UNK-626a1084-1
0.389
PET-UNK-626a1084-3
0.389
PET-UNK-626a1084-4
0.389
PET-UNK-626a1084-2
0.389
VLA-UCB-05e51b3f-5
0.388
MAT-POS-94643566-1
0.388
BEN-BAS-c2bc0d80-6
0.388
VLA-UCB-50c39ae8-2
0.388
MAT-POS-1f3f1a6f-5
0.387
MIC-UNK-0a05c952-2
0.386
DAR-DIA-5d6f1b43-8
0.385
ALP-POS-f13221e1-3
0.385
PET-UNK-5ddd54c7-2
0.384
EDJ-MED-96f6b92c-1
0.384
PET-UNK-3e354a91-1
0.384
VLA-MRT-a639d434-2
0.383
VLA-MRT-8c78ee15-4
0.383
DAR-DIA-0f7b7cd9-10
0.383
DAR-DIA-5d6f1b43-5
0.383
VLA-UNK-83c3754c-2
0.382
MAT-POS-24589f88-14
0.381
PET-UNK-e8933450-1
0.381
BEN-DND-d1eb1f41-7
0.381
BEN-BAS-c2bc0d80-7
0.381
PET-UNK-77d5678a-1
0.381
PET-UNK-77d5678a-4
0.381
DAR-DIA-0f7b7cd9-2
0.380
PET-UNK-4dc48bbe-4
0.379
MAT-POS-90505e2b-1
0.379
MAT-POS-ec6d90b7-2
0.379
JOH-MSK-1f2dff76-3
0.379