Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)N[C@@H]1CCOC1 |
| MW: | 239.07 |
| Fraction sp3: | 0.42 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 38.33 |
| cLogP: | 1.79 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
![O=C(Cc1cccc(Cl)c1)N[C@H]1CCOC1](/static/images/loading.7a8cbb7079d7.gif)
PET-UNK-f92d7c0c-5
1.000
PET-UNK-f92d7c0c-1
0.764
PET-UNK-f92d7c0c-6
0.764
ALP-POS-8b8a49e1-7
0.576
MIC-UNK-42806bd5-2
0.532
ALP-POS-90e38439-3
0.532
ALP-POS-8b8a49e1-5
0.532
PET-UNK-f92d7c0c-3
0.531
ALP-POS-8b8a49e1-8
0.523
MIC-UNK-13557a72-1
0.492
MIC-UNK-42806bd5-1
0.492
ALP-POS-90e38439-2
0.492
MAT-POS-500ca5bf-2
0.492
PET-UNK-f92d7c0c-7
0.485
ROB-UNI-daaf9793-4
0.465
PET-UNK-f92d7c0c-8
0.465
RUB-POS-1325a9ea-20
0.465
PET-UNK-f92d7c0c-2
0.465
MIC-UNK-fc94cdb5-1
0.462
MIC-UNK-4c7b8ba7-1
0.456
MAT-POS-0bc33984-1
0.449
NAM-UNK-f7c77a48-4
0.433
MIC-UNK-8373f97b-5
0.431
MIC-UNK-8373f97b-4
0.425
JAN-GHE-5a013bed-1
0.418
JAN-GHE-f4ca5a00-16
0.417
RUB-POS-1325a9ea-16
0.417
ALP-POS-8b8a49e1-6
0.417
RUB-POS-1325a9ea-6
0.413
JAN-GHE-5a013bed-5
0.413
JAN-GHE-f4ca5a00-17
0.411
JAN-GHE-f4ca5a00-14
0.411
RUB-POS-1325a9ea-24
0.411
RUB-POS-1325a9ea-23
0.405
NAU-LAT-a5c7d7cb-13
0.405
ALP-POS-90e38439-1
0.405
VLA-UCB-1dbca3b4-1
0.405
JAN-GHE-5a013bed-11
0.403
JAN-GHE-f4ca5a00-12
0.403
NAU-LAT-e1818702-1
0.403
TRY-UNI-9f475305-7
0.400
PET-UNK-8df914d1-5
0.397
MIC-UNK-b12b7f76-2
0.397
NAU-LAT-a5c7d7cb-14
0.395
ROB-UNI-daaf9793-2
0.395
JAN-GHE-5a013bed-6
0.394
PET-UNK-158bee2a-2
0.394
JAN-GHE-5a013bed-9
0.394
JIN-POS-6dc588a4-8
0.392
MAT-POS-bfb445d4-2
0.392
VLA-UNK-411a133b-1
0.391
JAN-GHE-5a013bed-4
0.391
RUB-POS-1325a9ea-7
0.390
RUB-POS-1325a9ea-21
0.390
AGN-NEW-c7b24fe3-5
0.389
NAU-LAT-e1818702-10
0.388
JAN-GHE-5a013bed-7
0.388
EDJ-MED-976da9a6-1
0.388
ALP-POS-95b75b4d-5
0.387
MAT-POS-bb423b95-4
0.387
EDG-MED-0da5ad92-14
0.386
VLA-UNK-4cf5aa07-2
0.384
JAN-GHE-5a013bed-8
0.382
PET-UNK-158bee2a-4
0.382
EDG-MED-0da5ad92-2
0.382
MIC-UNK-66895286-1
0.382
EDJ-MED-a364e151-3
0.382
MAT-POS-0bc33984-2
0.380
EDG-MED-0da5ad92-15
0.380
JAN-GHE-5a013bed-10
0.377
VLA-UNK-411a133b-2
0.377
SAD-SAT-b55127ae-1
0.377
MIC-UNK-d935700b-2
0.377
MAT-POS-199e2e7c-1
0.377
EDJ-MED-c8e7a002-10
0.377
MAT-POS-90fd5f68-8
0.376
ABI-SAT-4d06482b-2
0.375
EDJ-MED-239d8ca5-2
0.373
VLA-UCB-00f2c2b3-7
0.373
NAM-UNK-f7c77a48-3
0.373
EDJ-MED-a364e151-2
0.372
EDJ-MED-a364e151-1
0.372
SAM-UNK-2684b532-13
0.371
ALP-POS-95b75b4d-8
0.371
PET-UNK-158bee2a-3
0.371
PET-UNK-8df914d1-4
0.371
EDJ-MED-49816e9b-2
0.371
EDG-MED-0da5ad92-13
0.371
JAG-UCB-a3ef7265-15
0.371
NAU-LAT-e1818702-7
0.371
JAG-UCB-a3ef7265-17
0.371
EDG-MED-0da5ad92-16
0.371
EDG-MED-0da5ad92-21
0.371
PET-UNK-f92d7c0c-9
0.370
AGN-NEW-c7b24fe3-4
0.370
JIN-POS-6dc588a4-2
0.368
PET-UNK-8df914d1-2
0.368
EDJ-MED-49816e9b-3
0.366
EDG-MED-0da5ad92-12
0.366
ALP-POS-95b75b4d-6
0.366