Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)N[C@@H]1COCc2ccccc21 |
| MW: | 301.09 |
| Fraction sp3: | 0.24 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 38.33 |
| cLogP: | 3.27 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
RUB-POS-1325a9ea-20
1.000
PET-UNK-f92d7c0c-2
1.000
RUB-POS-1325a9ea-6
0.568
RUB-POS-1325a9ea-21
0.560
PET-UNK-f92d7c0c-9
0.551
ALP-POS-8b8a49e1-6
0.534
RUB-POS-1325a9ea-16
0.534
ROB-UNI-daaf9793-2
0.487
NAU-LAT-a5c7d7cb-14
0.487
MAT-POS-500ca5bf-2
0.486
ALP-POS-90e38439-2
0.486
MIC-UNK-42806bd5-1
0.486
MIC-UNK-fc94cdb5-1
0.479
PET-UNK-f92d7c0c-4
0.465
PET-UNK-f92d7c0c-5
0.465
RUB-POS-1325a9ea-7
0.463
MIC-UNK-4c7b8ba7-1
0.453
PET-UNK-f92d7c0c-6
0.446
PET-UNK-f92d7c0c-1
0.446
DAV-ILL-03f0d021-1
0.438
RUB-POS-1325a9ea-24
0.430
ALP-POS-90e38439-1
0.425
ROB-UNI-daaf9793-4
0.425
RUB-POS-1325a9ea-23
0.425
NAU-LAT-a5c7d7cb-13
0.425
VLA-UCB-1dbca3b4-1
0.425
ALP-POS-8b8a49e1-7
0.411
MIC-UNK-13557a72-1
0.408
MIC-UNK-42806bd5-2
0.400
ALP-POS-8b8a49e1-5
0.400
ALP-POS-90e38439-3
0.400
MAT-POS-7174c657-3
0.398
NAM-UNK-f7c77a48-3
0.397
ALP-POS-8b8a49e1-8
0.380
MIC-UNK-8373f97b-5
0.378
JAN-GHE-f4ca5a00-17
0.378
MAT-POS-0bc33984-1
0.375
MIC-UNK-8373f97b-4
0.373
PET-UNK-f92d7c0c-7
0.370
ROB-UNI-daaf9793-3
0.369
PET-UNK-f92d7c0c-3
0.367
JAN-GHE-5a013bed-9
0.360
ROB-CAM-6936528f-1
0.357
MAT-POS-4211dce8-1
0.357
MAT-POS-bb423b95-4
0.357
ALP-POS-95b75b4d-5
0.357
JAN-GHE-5a013bed-5
0.356
JAN-GHE-5a013bed-7
0.355
NAU-LAT-e1818702-10
0.355
EDJ-MED-c292668a-1
0.354
EDJ-MED-a364e151-3
0.353
PET-UNK-158bee2a-4
0.351
MIC-UNK-66895286-1
0.351
EDG-MED-0da5ad92-15
0.350
JAN-GHE-f4ca5a00-16
0.349
MIC-UNK-d935700b-2
0.349
MAT-POS-7174c657-2
0.349
JIN-POS-6dc588a4-8
0.345
JAN-GHE-f4ca5a00-14
0.345
MAT-POS-bfb445d4-2
0.345
JAN-GHE-5a013bed-6
0.342
PET-UNK-158bee2a-2
0.342
PET-UNK-8df914d1-4
0.342
JAN-GHE-5a013bed-4
0.342
EDG-MED-0da5ad92-21
0.342
VLA-UNK-411a133b-1
0.342
JAG-UCB-a3ef7265-17
0.342
NAU-LAT-e1818702-7
0.342
RUB-POS-1325a9ea-22
0.341
JIN-POS-6dc588a4-7
0.341
PET-UNK-8df914d1-2
0.341
EDJ-MED-50fe53e8-3
0.341
JIN-POS-6dc588a4-2
0.341
EDJ-MED-49816e9b-5
0.338
EDG-MED-0da5ad92-14
0.338
VLA-UNK-4cf5aa07-2
0.337
NAU-LAT-e1818702-1
0.337
JAN-GHE-f4ca5a00-12
0.337
MAT-POS-0bc33984-2
0.333
PET-UNK-8df914d1-5
0.333
JAN-GHE-5a013bed-11
0.333
EDG-MED-0da5ad92-2
0.333
MAT-POS-199e2e7c-1
0.333
EDJ-MED-239d8ca5-2
0.333
MIC-UNK-b12b7f76-2
0.333
JAN-GHE-5a013bed-8
0.333
SAM-UNK-2684b532-11
0.333
EDJ-MED-a364e151-1
0.330
EDJ-MED-a364e151-2
0.330
VLA-UCB-00f2c2b3-7
0.329
PET-UNK-e44ffd04-1
0.329
NAU-LAT-a5c7d7cb-12
0.329
BEN-DND-02317c5c-8
0.329
ALP-POS-3b848b35-3
0.329
EDJ-MED-c8e7a002-11
0.329
EDJ-MED-b24713dc-2
0.329
NAU-LAT-a5c7d7cb-10
0.329
ABI-SAT-4d06482b-2
0.329
VLA-UNK-411a133b-2
0.329
JAN-GHE-5a013bed-10
0.329