Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)NC1CNCc2ccccc21 |
| MW: | 300.1 |
| Fraction sp3: | 0.24 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 41.13 |
| cLogP: | 2.84 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Order Status | |
| Ordered: | 2021-03-23 |
| Synthesis Location: | enamine |
| Shipped: | synthesis in progress |
ADA-UCB-6c2cb422-1
RUB-POS-1325a9ea-21
0.608
RUB-POS-1325a9ea-20
0.568
PET-UNK-f92d7c0c-8
0.568
PET-UNK-f92d7c0c-2
0.568
RUB-POS-1325a9ea-7
0.526
ALP-POS-8b8a49e1-6
0.500
RUB-POS-1325a9ea-16
0.500
ROB-UNI-daaf9793-2
0.494
NAU-LAT-a5c7d7cb-14
0.494
MAT-POS-500ca5bf-2
0.493
MIC-UNK-42806bd5-1
0.493
ALP-POS-90e38439-2
0.493
MIC-UNK-fc94cdb5-1
0.486
MIC-UNK-4c7b8ba7-1
0.461
RUB-POS-1325a9ea-24
0.438
DAV-ILL-89eb723b-1
0.433
NAU-LAT-a5c7d7cb-13
0.432
RUB-POS-1325a9ea-23
0.432
ALP-POS-90e38439-1
0.432
VLA-UCB-1dbca3b4-1
0.432
ALP-POS-90e38439-3
0.427
ALP-POS-8b8a49e1-5
0.427
MIC-UNK-42806bd5-2
0.427
NAM-UNK-f7c77a48-3
0.425
PET-UNK-f92d7c0c-1
0.416
PET-UNK-f92d7c0c-6
0.416
ROB-UNI-daaf9793-4
0.415
PET-UNK-f92d7c0c-5
0.413
PET-UNK-f92d7c0c-4
0.413
DAR-DIA-6a49afbe-11
0.409
MAT-POS-7174c657-3
0.405
ALP-POS-8b8a49e1-7
0.400
MIC-UNK-13557a72-1
0.397
ALP-POS-8b8a49e1-8
0.388
JAN-GHE-f4ca5a00-17
0.386
MAT-POS-0bc33984-1
0.383
EDJ-MED-c292668a-1
0.378
ROB-UNI-daaf9793-3
0.376
NAU-LAT-28398581-4
0.374
MIC-UNK-8373f97b-5
0.369
PET-UNK-f92d7c0c-9
0.367
MIC-UNK-8373f97b-4
0.365
ALP-POS-95b75b4d-5
0.365
MAT-POS-bb423b95-4
0.365
JAN-GHE-f4ca5a00-16
0.357
MAT-POS-7174c657-2
0.356
JAN-GHE-5a013bed-1
0.354
JAN-GHE-f4ca5a00-14
0.353
JAN-GHE-5a013bed-9
0.351
JAN-GHE-5a013bed-4
0.350
ROB-CAM-6936528f-1
0.349
JAN-GHE-5a013bed-5
0.347
JAN-GHE-5a013bed-7
0.346
NAU-LAT-e1818702-10
0.346
EDJ-MED-50fe53e8-1
0.345
MAT-POS-3cc264b0-1
0.345
MIC-UNK-66895286-1
0.342
JAN-GHE-5a013bed-11
0.342
PET-UNK-158bee2a-4
0.342
MAT-POS-0bc33984-2
0.341
EDG-MED-0da5ad92-15
0.341
JIN-POS-6dc588a4-5
0.341
RUB-POS-1325a9ea-18
0.341
MIC-UNK-d935700b-2
0.341
JAN-GHE-5a013bed-10
0.338
ABI-SAT-4d06482b-2
0.337
MAT-POS-bfb445d4-2
0.337
EDJ-MED-c8e7a002-11
0.337
NAU-LAT-a5c7d7cb-10
0.337
JIN-POS-6dc588a4-20
0.337
JOH-UNI-abfda500-5
0.333
ANN-UNI-98d2bf15-3
0.333
MAT-POS-4211dce8-1
0.333
NAM-UNK-f7c77a48-4
0.333
JOH-UNI-abfda500-4
0.333
NAU-LAT-e1818702-7
0.333
EDJ-MED-50fe53e8-3
0.333
PET-UNK-8df914d1-4
0.333
JAN-GHE-5a013bed-6
0.333
RUB-POS-1325a9ea-22
0.333
EDG-MED-0da5ad92-21
0.333
JAG-UCB-a3ef7265-17
0.333
PET-UNK-158bee2a-2
0.333
VLA-UNK-411a133b-1
0.333
PET-UNK-158bee2a-3
0.333
NAU-LAT-e1818702-1
0.329
JAN-GHE-f4ca5a00-12
0.329
EDJ-MED-49816e9b-5
0.329
EDG-MED-0da5ad92-14
0.329
EDG-MED-0da5ad92-12
0.329
EDJ-MED-c8e7a002-9
0.326
MAT-POS-199e2e7c-1
0.326
JAN-GHE-5a013bed-3
0.326
PET-UNK-8df914d1-5
0.326
MIC-UNK-b12b7f76-2
0.326
JAN-GHE-5a013bed-2
0.326
TRY-UNI-714a760b-6
0.325
JAN-GHE-5a013bed-8
0.325
EDG-MED-0da5ad92-2
0.325
EDJ-MED-a364e151-1
0.322