Molecular Properties | |
SMILES: | O=C1CCN(Cc2cccc(Cl)c2)C(=O)N1c1cncc2ccccc12 |
MW: | 365.09 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 53.51 |
cLogP: | 4.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-b80f1cd7-1
0.725
VLA-UCB-1dbca3b4-13
0.600
DAR-DIA-b80f1cd7-4
0.583
DAR-DIA-b80f1cd7-3
0.567
DAR-DIA-b80f1cd7-5
0.561
DAR-DIA-b80f1cd7-6
0.561
DAR-DIA-b80f1cd7-7
0.561
DAR-DIA-b80f1cd7-8
0.556
DAR-DIA-b80f1cd7-11
0.546
DAR-DIA-0f7b7cd9-5
0.545
DAR-DIA-b80f1cd7-12
0.541
DAR-DIA-b80f1cd7-13
0.536
VLA-UCB-1dbca3b4-3
0.535
DAR-DIA-b80f1cd7-14
0.531
DAR-DIA-b80f1cd7-10
0.515
DAR-DIA-0f7b7cd9-4
0.511
DAR-DIA-b80f1cd7-9
0.510
DAR-DIA-0f7b7cd9-10
0.473
VLA-UCB-1dbca3b4-10
0.463
PET-UNK-689df078-1
0.463
PET-UNK-7a31b064-2
0.455
PET-UNK-689df078-4
0.453
VLA-UCB-1dbca3b4-6
0.452
PET-UNK-7be94445-2
0.444
PET-UNK-689df078-3
0.442
VLA-UCB-1dbca3b4-17
0.436
PET-UNK-4dc48bbe-6
0.436
DAR-DIA-0f7b7cd9-7
0.435
PET-UNK-689df078-2
0.429
VLA-UNK-db5e3064-1
0.429
PET-UNK-7a31b064-1
0.424
VLA-UNK-db5e3064-2
0.421
PET-UNK-7b413b46-3
0.420
PET-UNK-7b413b46-7
0.420
PET-UNK-7be94445-1
0.419
PET-UNK-abc197b8-1
0.418
VLA-UCB-1dbca3b4-18
0.418
VLA-UCB-1dbca3b4-12
0.411
JUL-TUD-06b2044f-112
0.404
MAT-POS-8695a11f-1
0.402
MAT-POS-d8472c4f-1
0.402
MAT-POS-8695a11f-3
0.402
VLA-UNK-c65c1026-3
0.400
PET-UNK-7b413b46-8
0.396
PET-UNK-7b413b46-4
0.396
DAR-DIA-0f7b7cd9-6
0.389
VLA-UCB-05e51b3f-6
0.389
VLA-UCB-50c39ae8-3
0.389
DAR-DIA-5d6f1b43-3
0.388
EDG-MED-5d232de5-7
0.388
EDG-MED-5d232de5-8
0.388
GIA-UNK-80c9bc96-1
0.388
PET-UNK-c9c1e0d8-4
0.388
VLA-UNK-c65c1026-2
0.387
PET-UNK-5ddd54c7-2
0.382
EDJ-MED-96f6b92c-1
0.382
VLA-UNK-cf7facf1-1
0.381
VLA-UCB-34f3ed0c-11
0.381
VLA-UCB-29506327-1
0.381
ADA-UCB-6c2cb422-1
0.380
PET-UNK-c9c1e0d8-3
0.380
BEN-DND-d1eb1f41-7
0.380
MAT-POS-24589f88-14
0.380
PET-UNK-4dc48bbe-8
0.379
DAR-DIA-0f7b7cd9-2
0.379
PET-UNK-7b413b46-6
0.378
PET-UNK-7b413b46-2
0.378
PET-UNK-4dc48bbe-4
0.378
ALP-POS-91609ae9-2
0.376
ALP-POS-76eab5ce-1
0.376
DAR-DIA-6a49afbe-1
0.376
ALP-UNI-dbb9503d-1
0.376
PET-UNK-4c71d490-3
0.376
PET-UNK-4c71d490-7
0.376
VLA-UNK-c65c1026-4
0.375
PET-UNK-626a1084-2
0.375
PET-UNK-626a1084-4
0.375
VLA-UNK-70dd90ef-3
0.375
PET-UNK-626a1084-1
0.375
PET-UNK-626a1084-3
0.375
VLA-UCB-05e51b3f-5
0.374
VLA-UCB-50c39ae8-2
0.374
BEN-BAS-c2bc0d80-6
0.374
MAT-POS-94643566-1
0.374
ALP-POS-91609ae9-1
0.374
PET-UNK-431b3bfb-1
0.373
ALP-UNI-58319883-2
0.373
DAR-DIA-5d6f1b43-10
0.371
MIC-UNK-0a05c952-2
0.371
MAT-POS-1f3f1a6f-5
0.371
PET-UNK-6af7266d-2
0.371
PET-UNK-6af7266d-4
0.371
DAR-DIA-5d6f1b43-8
0.370
DAR-DIA-5d6f1b43-13
0.369
PET-UNK-3e354a91-1
0.369
VLA-UNK-83c3754c-2
0.368
DAR-DIA-6a49afbe-4
0.368
DAR-DIA-5d6f1b43-5
0.367
BEN-BAS-c2bc0d80-7
0.367
PET-UNK-e8933450-1
0.366