Molecular Properties | |
SMILES: | N#C[C@H]1CO[C@@H](c2cccc(Cl)c2)C(=O)N1c1cncc2ccccc12 |
MW: | 363.08 |
Fraction sp3: | 0.15 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 66.22 |
cLogP: | 3.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
N-C-Hal or cyano methyl
PET-UNK-5ddd54c7-2
0.618
PET-UNK-3e354a91-1
0.618
PET-UNK-194f9da3-2
0.609
PET-UNK-194f9da3-1
0.598
PET-UNK-431b3bfb-1
0.554
ALP-UNI-58319883-2
0.554
VLA-UNK-db5e3064-1
0.554
PET-UNK-689df078-2
0.554
MIC-UNK-0a05c952-1
0.521
VLA-UNK-db5e3064-2
0.516
MIC-UNK-0a05c952-2
0.515
PET-UNK-7b413b46-4
0.469
PET-UNK-7b413b46-8
0.469
PET-UNK-689df078-4
0.469
PET-UNK-7b413b46-3
0.465
PET-UNK-7b413b46-7
0.465
EDG-MED-5d232de5-8
0.463
EDG-MED-5d232de5-7
0.463
PET-UNK-c9c1e0d8-4
0.463
GIA-UNK-80c9bc96-1
0.463
BEN-DND-d1eb1f41-7
0.454
PET-UNK-c9c1e0d8-3
0.454
MAT-POS-24589f88-14
0.454
PET-UNK-4dc48bbe-6
0.453
PET-UNK-7b413b46-6
0.453
PET-UNK-7b413b46-2
0.453
VLA-UCB-1dbca3b4-6
0.453
VLA-UCB-1dbca3b4-17
0.453
PET-UNK-689df078-3
0.443
PET-UNK-7b413b46-5
0.434
PET-UNK-abc197b8-1
0.434
PET-UNK-7b413b46-1
0.434
VLA-UCB-1dbca3b4-10
0.434
VLA-UCB-1dbca3b4-18
0.434
PET-UNK-689df078-1
0.434
PET-UNK-7a31b064-2
0.427
PET-UNK-7a31b064-1
0.426
DAR-DIA-f6ee7aeb-1
0.423
MIC-UNK-0a05c952-3
0.420
MIC-UNK-9582b2c5-1
0.418
MIC-UNK-0a05c952-4
0.408
MIC-UNK-d854bf4c-3
0.400
MIC-UNK-d854bf4c-7
0.396
MAT-POS-8695a11f-3
0.390
MAT-POS-8695a11f-1
0.390
MAT-POS-d8472c4f-1
0.390
VLA-UCB-1dbca3b4-12
0.387
MIC-UNK-d854bf4c-1
0.387
PET-UNK-7be94445-2
0.385
MIC-UNK-d854bf4c-5
0.384
DAR-DIA-5d6f1b43-5
0.384
ALP-UNI-dbb9503d-1
0.379
PET-UNK-7be94445-1
0.378
VLA-UCB-1dbca3b4-3
0.378
DAR-DIA-0f7b7cd9-7
0.378
DAR-DIA-0f7b7cd9-6
0.378
DAR-DIA-0f7b7cd9-4
0.376
DAR-DIA-f6ee7aeb-6
0.374
DAR-DIA-5d6f1b43-10
0.374
DAR-DIA-b80f1cd7-3
0.372
DAR-DIA-b80f1cd7-4
0.372
EDJ-MED-96f6b92c-1
0.371
DAR-DIA-5d6f1b43-4
0.369
DAR-DIA-b80f1cd7-1
0.369
DAR-DIA-b80f1cd7-6
0.368
DAR-DIA-b80f1cd7-5
0.368
PET-UNK-4dc48bbe-8
0.367
DAR-DIA-6be260fc-3
0.367
DAR-DIA-5d6f1b43-1
0.366
PET-UNK-4dc48bbe-4
0.366
ALP-POS-ce760d3f-8
0.366
MIK-ENA-be04d1d4-1
0.366
MIK-ENA-e143773d-1
0.366
MIK-ENA-edcfce18-1
0.366
MAT-POS-50a80394-2
0.366
MIK-ENA-0547b12c-1
0.366
ALP-UNI-dbb9503d-2
0.364
DAR-DIA-b80f1cd7-9
0.363
VLA-UCB-1dbca3b4-13
0.363
DAR-DIA-5d6f1b43-3
0.363
PET-UNK-94460c07-1
0.363
DAR-DIA-0f7b7cd9-5
0.363
MIC-UNK-9582b2c5-3
0.360
DAR-DIA-5d6f1b43-8
0.359
DAR-DIA-b80f1cd7-13
0.357
DAR-DIA-b80f1cd7-7
0.357
DAR-DIA-5d6f1b43-11
0.356
PET-UNK-e8933450-1
0.356
BEN-DND-d1eb1f41-8
0.355
DAR-DIA-b80f1cd7-2
0.355
DAR-DIA-5d6f1b43-12
0.355
MAT-POS-a9372f04-1
0.355
PET-UNK-94460c07-2
0.355
MIK-ENA-99706bb8-1
0.355
MIK-ENA-17e27e9c-1
0.355
MIK-ENA-623fe2a6-1
0.355
MIK-ENA-2c0ad173-1
0.355
MAT-POS-50a80394-1
0.355
DAR-DIA-b80f1cd7-11
0.354
DAR-DIA-b80f1cd7-8
0.353