Molecule Details
| Molecular Properties | |
| SMILES: | O=C1CC(NC(=O)Cc2cccc(Cl)c2)c2ccccc2N1 |
| MW: | 314.08 |
| Fraction sp3: | 0.18 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 58.2 |
| cLogP: | 3.08 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2020-11-16 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
NAU-LAT-a5c7d7cb-14
1.000
MIC-UNK-fc94cdb5-1
0.597
VLA-UCB-1dbca3b4-1
0.568
ALP-POS-90e38439-1
0.568
RUB-POS-1325a9ea-23
0.568
NAU-LAT-a5c7d7cb-13
0.568
ALP-POS-8b8a49e1-6
0.562
RUB-POS-1325a9ea-16
0.562
RUB-POS-1325a9ea-24
0.513
RUB-POS-1325a9ea-6
0.494
MAT-POS-500ca5bf-2
0.493
ALP-POS-90e38439-2
0.493
MIC-UNK-42806bd5-1
0.493
PET-UNK-f92d7c0c-8
0.487
RUB-POS-1325a9ea-20
0.487
PET-UNK-f92d7c0c-2
0.487
RUB-POS-1325a9ea-21
0.469
ALP-POS-90e38439-3
0.466
MIC-UNK-42806bd5-2
0.466
ALP-POS-8b8a49e1-5
0.466
MIC-UNK-4c7b8ba7-1
0.461
ALP-POS-8b8a49e1-8
0.442
ALP-POS-8b8a49e1-7
0.438
RUB-POS-1325a9ea-7
0.434
MIC-UNK-8373f97b-5
0.402
MAT-POS-0bc33984-1
0.400
ROB-UNI-daaf9793-4
0.398
MIC-UNK-8373f97b-4
0.398
MIC-UNK-13557a72-1
0.397
MAT-POS-f7918075-7
0.395
RUB-POS-1325a9ea-1
0.395
PET-UNK-f92d7c0c-5
0.395
PET-UNK-f92d7c0c-4
0.395
MAT-POS-450cb4f9-1
0.389
MAT-POS-4211dce8-1
0.381
PET-UNK-f92d7c0c-1
0.380
PET-UNK-f92d7c0c-6
0.380
MIC-UNK-8373f97b-2
0.379
MAT-POS-0bc33984-2
0.375
MIC-UNK-d935700b-2
0.372
JAN-GHE-f4ca5a00-17
0.369
JOH-UNI-6fede743-3
0.369
MAT-POS-bb423b95-6
0.369
JIN-POS-6dc588a4-19
0.369
JAN-GHE-5a013bed-5
0.365
MIC-UNK-b12b7f76-2
0.357
MAT-POS-7174c657-3
0.356
JAN-GHE-f4ca5a00-14
0.353
JAN-GHE-5a013bed-9
0.351
UNK-UNK-2ede4078-39
0.350
JAN-GHE-5a013bed-4
0.350
VLA-UNK-4cf5aa07-1
0.349
PET-UNK-158bee2a-1
0.349
ALP-POS-95b75b4d-5
0.349
MAT-POS-bb423b95-4
0.349
NAU-LAT-e1818702-10
0.346
JAN-GHE-5a013bed-7
0.346
EDJ-MED-49816e9b-3
0.346
EDG-MED-0da5ad92-14
0.346
VLA-UNK-4cf5aa07-2
0.345
ROB-UNI-daaf9793-1
0.345
MAT-POS-e1b5ac6b-1
0.345
VLA-UCB-1dbca3b4-7
0.344
JAN-GHE-5a013bed-8
0.342
JAN-GHE-5a013bed-11
0.342
PET-UNK-158bee2a-4
0.342
MIC-UNK-66895286-1
0.342
JAN-GHE-f4ca5a00-16
0.341
JIN-POS-6dc588a4-5
0.341
EDJ-MED-c8e7a002-11
0.337
NAU-LAT-a5c7d7cb-10
0.337
MIC-UNK-8971c93c-1
0.337
MAT-POS-f7918075-4
0.337
PET-UNK-158bee2a-2
0.333
PET-UNK-158bee2a-3
0.333
JIN-POS-6dc588a4-9
0.333
JAG-UCB-a3ef7265-17
0.333
NAU-LAT-e1818702-7
0.333
JIN-POS-6dc588a4-7
0.333
RUB-POS-1325a9ea-22
0.333
JAN-GHE-5a013bed-6
0.333
NAM-UNK-f7c77a48-4
0.333
PET-UNK-8df914d1-4
0.333
VLA-UNK-dc1d9354-1
0.333
EDG-MED-0da5ad92-21
0.333
JIN-POS-6dc588a4-2
0.333
RUB-POS-1325a9ea-17
0.333
VLA-UNK-411a133b-1
0.333
NAM-UNK-f7c77a48-3
0.333
MAT-POS-35d3f55a-1
0.330
MAT-POS-f7918075-6
0.330
EDJ-MED-50fe53e8-2
0.330
EDJ-MED-50fe53e8-4
0.330
EDJ-MED-50fe53e8-1
0.330
MAT-POS-3cc264b0-1
0.330
BEN-DND-02317c5c-9
0.330
ROB-UNI-daaf9793-3
0.330
EDJ-MED-c292668a-1
0.329
NAU-LAT-e1818702-1
0.329
JAN-GHE-f4ca5a00-12
0.329