Molecular Properties | |
SMILES: | O=C1NC(c2cccc(Cl)c2)C(=O)N1c1cncc2ccccc12 |
MW: | 337.06 |
Fraction sp3: | 0.06 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 62.3 |
cLogP: | 3.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
hydantoin
VLA-UCB-1dbca3b4-17
1.000
MAT-POS-1f3f1a6f-5
0.726
PET-UNK-4dc48bbe-8
0.699
PET-UNK-689df078-3
0.667
VLA-UCB-1dbca3b4-18
0.610
PET-UNK-abc197b8-1
0.610
VLA-UCB-1dbca3b4-6
0.600
VLA-UNK-db5e3064-2
0.580
PET-UNK-689df078-1
0.571
VLA-UCB-1dbca3b4-10
0.571
PET-UNK-689df078-4
0.560
PET-UNK-7a31b064-1
0.558
PET-UNK-689df078-2
0.547
VLA-UNK-db5e3064-1
0.547
PET-UNK-7a31b064-2
0.539
PET-UNK-7b413b46-2
0.524
PET-UNK-7b413b46-6
0.524
PET-UNK-194f9da3-1
0.522
EDG-MED-5d232de5-7
0.518
GIA-UNK-80c9bc96-1
0.518
EDG-MED-5d232de5-8
0.518
PET-UNK-c9c1e0d8-4
0.518
PET-UNK-7b413b46-1
0.517
PET-UNK-7b413b46-5
0.517
PET-UNK-c9c1e0d8-3
0.506
PET-UNK-7b413b46-8
0.506
PET-UNK-7b413b46-4
0.506
VLA-UCB-1dbca3b4-11
0.500
PET-UNK-7b413b46-3
0.500
PET-UNK-7b413b46-7
0.500
VLA-UCB-1dbca3b4-12
0.500
PET-UNK-3e354a91-1
0.489
BEN-DND-d1eb1f41-7
0.489
MAT-POS-24589f88-14
0.489
VLA-UCB-1dbca3b4-3
0.488
PET-UNK-431b3bfb-1
0.478
ALP-UNI-58319883-2
0.478
PET-UNK-4dc48bbe-7
0.475
MIC-UNK-0a05c952-2
0.473
PET-UNK-5ddd54c7-2
0.473
PET-UNK-194f9da3-2
0.468
VLA-UCB-1dbca3b4-13
0.466
MIC-UNK-0a05c952-1
0.462
DAR-DIA-b80f1cd7-14
0.459
DAR-DIA-b80f1cd7-1
0.456
PET-UNK-5ddd54c7-1
0.453
MIC-UNK-9582b2c5-1
0.446
DAR-DIA-b80f1cd7-10
0.444
VLA-UNK-70dd90ef-2
0.441
MIC-UNK-d854bf4c-3
0.440
VLA-UNK-cf7facf1-1
0.438
VLA-UCB-29506327-1
0.438
VLA-UCB-34f3ed0c-11
0.438
DAR-DIA-0f7b7cd9-7
0.437
DAR-DIA-b80f1cd7-2
0.436
DAR-DIA-b80f1cd7-4
0.436
MIC-UNK-d854bf4c-7
0.436
YVE-CNR-7d92d73e-1
0.433
VLA-UNK-70dd90ef-1
0.432
VLA-UNK-70dd90ef-4
0.432
VLA-UNK-83c3754c-1
0.432
VLA-UNK-c65c1026-4
0.432
PET-UNK-7be94445-2
0.430
DAR-DIA-b80f1cd7-12
0.426
MIC-UNK-d854bf4c-1
0.426
DAR-DIA-f6ee7aeb-6
0.423
DAR-DIA-f6ee7aeb-1
0.423
VLA-MRT-8c78ee15-2
0.423
VLA-MRT-8c78ee15-1
0.423
VLA-MRT-a639d434-3
0.423
MIC-UNK-d854bf4c-5
0.422
PET-UNK-7be94445-1
0.420
DAR-DIA-b80f1cd7-13
0.420
JOH-MSK-1f2dff76-3
0.418
JOH-MSK-1f2dff76-4
0.418
MAT-POS-90505e2b-1
0.418
MAT-POS-ec6d90b7-1
0.418
MAT-POS-ec6d90b7-2
0.418
MAT-POS-d8472c4f-1
0.418
MAT-POS-8695a11f-1
0.418
MAT-POS-8695a11f-3
0.418
DAR-DIA-5d6f1b43-3
0.418
DAR-DIA-b80f1cd7-5
0.417
DAR-DIA-b80f1cd7-6
0.417
VLA-UNK-70dd90ef-3
0.417
DAR-DIA-b80f1cd7-11
0.416
VLA-UNK-c65c1026-6
0.414
MIC-UNK-eb20c3e1-2
0.413
DAR-DIA-b80f1cd7-9
0.412
PET-UNK-e8933450-1
0.409
DAR-DIA-b80f1cd7-3
0.408
DAR-DIA-0f7b7cd9-6
0.404
ALP-UNI-dbb9503d-1
0.404
JOH-MSK-51c67e7d-1
0.404
JOH-MSK-51c67e7d-2
0.404
DAR-DIA-b80f1cd7-7
0.404
DAR-DIA-0f7b7cd9-4
0.402
PET-UNK-94460c07-1
0.402
DAR-DIA-0f7b7cd9-5
0.402
VLA-UCB-34f3ed0c-12
0.402