Molecular Properties | |
SMILES: | CN(C(=O)Cc1cccc(Cl)c1)[C@H]1CCOC1 |
MW: | 253.09 |
Fraction sp3: | 0.46 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 29.54 |
cLogP: | 2.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-f92d7c0c-7
0.780
PET-UNK-f92d7c0c-4
0.531
PET-UNK-f92d7c0c-5
0.531
PET-UNK-f92d7c0c-9
0.494
PET-UNK-f92d7c0c-6
0.464
PET-UNK-f92d7c0c-1
0.464
JAN-GHE-83b26c96-15
0.405
EDG-MED-0da5ad92-1
0.405
TRY-UNI-9f475305-7
0.398
PET-UNK-bbe8d7ff-1
0.392
PET-UNK-bbe8d7ff-2
0.392
BAR-COM-ebf5acce-13
0.391
NAM-UNK-f7c77a48-4
0.389
JOH-UNI-a38a7bdd-4
0.388
ALP-POS-8b8a49e1-7
0.386
MIC-UNK-13557a72-1
0.384
BAR-COM-ebf5acce-11
0.382
JAN-GHE-83b26c96-16
0.382
VLA-UNK-4cf5aa07-2
0.382
BAR-COM-ebf5acce-9
0.381
JOH-UNI-a38a7bdd-9
0.381
ALP-POS-90e38439-2
0.380
MIC-UNK-42806bd5-1
0.380
MAT-POS-500ca5bf-2
0.380
EDJ-MED-a364e151-3
0.380
JOH-UNI-a38a7bdd-8
0.379
JOH-UNI-3fc3434e-12
0.378
JOH-UNI-ee5ed7c8-12
0.378
PET-UNK-8df914d1-5
0.377
BAR-COM-ebf5acce-1
0.373
EDJ-MED-239d8ca5-2
0.372
EDJ-MED-a364e151-2
0.370
MAT-POS-bb423b95-7
0.370
JOH-UNI-a38a7bdd-3
0.370
MIC-UNK-67d4a29a-1
0.370
BAR-COM-ebf5acce-15
0.369
EDG-MED-0da5ad92-17
0.368
MAT-POS-0bc33984-1
0.368
JAN-GHE-5a013bed-5
0.368
PET-UNK-f92d7c0c-2
0.367
RUB-POS-1325a9ea-20
0.367
PET-UNK-f92d7c0c-8
0.367
BAR-COM-ebf5acce-6
0.365
JOH-UNI-3fc3434e-13
0.365
JOH-UNI-ee5ed7c8-13
0.365
NAU-LAT-e1818702-1
0.364
JAN-GHE-f4ca5a00-12
0.364
JOH-UNI-a38a7bdd-7
0.364
MIC-UNK-67d4a29a-3
0.361
PET-UNK-8df914d1-3
0.360
MAT-POS-0bc33984-2
0.360
EDG-MED-0da5ad92-15
0.360
RUB-POS-1325a9ea-19
0.359
PET-UNK-e8c7a26f-2
0.359
MIC-UNK-67d4a29a-2
0.357
BAR-COM-ebf5acce-3
0.357
MIC-UNK-42806bd5-2
0.356
ALP-POS-8b8a49e1-5
0.356
ALP-POS-90e38439-3
0.356
MIC-UNK-fc94cdb5-1
0.356
VLA-UNK-411a133b-2
0.356
JAN-GHE-5a013bed-1
0.356
BAR-COM-ebf5acce-12
0.356
MIC-UNK-4c7b8ba7-1
0.355
ALP-POS-8b8a49e1-8
0.355
JAN-GHE-f4ca5a00-17
0.354
DAR-DIA-076fb6ea-2
0.354
DAR-DIA-076fb6ea-16
0.354
DAR-DIA-56cf811e-2
0.354
EDJ-MED-976da9a6-2
0.353
EDJ-MED-239d8ca5-1
0.353
MIC-UNK-67d4a29a-4
0.353
DAR-DIA-076fb6ea-13
0.352
NAM-UNK-f7c77a48-3
0.352
JAN-GHE-5a013bed-6
0.352
JAN-GHE-5a013bed-9
0.352
PET-UNK-158bee2a-2
0.352
VLA-UNK-411a133b-1
0.351
PET-UNK-158bee2a-3
0.351
NAU-LAT-e1818702-7
0.351
SAM-UNK-2684b532-13
0.351
EDG-MED-0da5ad92-13
0.351
JAG-UCB-a3ef7265-17
0.351
JAG-UCB-a3ef7265-15
0.351
ALP-POS-95b75b4d-8
0.351
PET-UNK-8df914d1-4
0.351
EDJ-MED-49816e9b-2
0.351
EDG-MED-0da5ad92-16
0.351
EDG-MED-0da5ad92-21
0.351
TRY-UNI-714a760b-3
0.351
ALP-POS-95b75b4d-5
0.350
MAT-POS-bb423b95-4
0.350
ROB-UNI-daaf9793-4
0.350
JAN-GHE-5a013bed-7
0.347
NAU-LAT-e1818702-10
0.347
EDG-MED-0da5ad92-14
0.347
EDJ-MED-49816e9b-5
0.347
EDJ-MED-49816e9b-3
0.347
EDG-MED-0da5ad92-12
0.347
JOH-UNI-50ce7ec3-6
0.345