Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)NC1CC(=O)c2ccccc2C1 |
| MW: | 313.09 |
| Fraction sp3: | 0.22 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 46.17 |
| cLogP: | 3.2 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Ketone
ALP-POS-8b8a49e1-7
0.515
ALP-POS-8b8a49e1-6
0.514
RUB-POS-1325a9ea-16
0.514
ALP-POS-8b8a49e1-5
0.500
ALP-POS-90e38439-3
0.500
MIC-UNK-42806bd5-2
0.500
ALP-POS-8b8a49e1-8
0.473
PET-UNK-f92d7c0c-4
0.465
PET-UNK-f92d7c0c-5
0.465
EDJ-MED-c292668a-1
0.461
PET-UNK-f92d7c0c-1
0.446
PET-UNK-f92d7c0c-6
0.446
MAT-POS-500ca5bf-2
0.444
ALP-POS-90e38439-2
0.444
MIC-UNK-42806bd5-1
0.444
MIC-UNK-fc94cdb5-1
0.438
ROB-UNI-daaf9793-3
0.438
RUB-POS-1325a9ea-7
0.427
PET-UNK-f92d7c0c-2
0.425
RUB-POS-1325a9ea-20
0.425
PET-UNK-f92d7c0c-8
0.425
MIC-UNK-4c7b8ba7-1
0.416
RUB-POS-1325a9ea-6
0.415
RUB-POS-1325a9ea-21
0.410
ROB-UNI-daaf9793-2
0.398
NAU-LAT-a5c7d7cb-14
0.398
NAM-UNK-f7c77a48-3
0.397
RUB-POS-1325a9ea-22
0.392
MAT-POS-0bc33984-1
0.392
RUB-POS-1325a9ea-23
0.390
ALP-POS-90e38439-1
0.390
NAU-LAT-a5c7d7cb-13
0.390
VLA-UCB-1dbca3b4-1
0.390
MIC-UNK-13557a72-1
0.390
MAT-POS-7174c657-2
0.381
MIC-UNK-8373f97b-5
0.378
RUB-POS-1325a9ea-24
0.378
MIC-UNK-8373f97b-4
0.373
NAM-UNK-f7c77a48-4
0.359
ROB-CAM-6936528f-1
0.357
JAN-GHE-5a013bed-5
0.356
EDG-MED-0da5ad92-14
0.354
MIC-UNK-66895286-1
0.351
PET-UNK-f92d7c0c-3
0.350
MAT-POS-0bc33984-2
0.350
MIC-UNK-b12b7f76-2
0.349
RUB-POS-1325a9ea-19
0.349
MAT-POS-7174c657-3
0.349
MIC-UNK-d935700b-2
0.349
VLA-UCB-00f2c2b3-7
0.345
JAN-GHE-f4ca5a00-17
0.345
PET-UNK-f92d7c0c-9
0.344
JAN-GHE-5a013bed-9
0.342
JAN-GHE-5a013bed-6
0.342
PET-UNK-158bee2a-2
0.342
VLA-UNK-411a133b-1
0.342
EDJ-MED-49816e9b-2
0.342
JAN-GHE-5a013bed-4
0.342
EDG-MED-0da5ad92-17
0.341
ALP-POS-95b75b4d-5
0.341
MAT-POS-bb423b95-4
0.341
NAU-LAT-e1818702-10
0.338
JAN-GHE-5a013bed-7
0.338
JAN-GHE-f4ca5a00-12
0.337
VLA-UNK-4cf5aa07-2
0.337
AGN-NEW-c7b24fe3-1
0.337
NAU-LAT-e1818702-1
0.337
BEN-DND-02317c5c-9
0.337
EDJ-MED-50fe53e8-4
0.337
EDJ-MED-a364e151-3
0.337
SAM-UNK-2684b532-12
0.333
JAN-GHE-5a013bed-11
0.333
JAN-GHE-5a013bed-8
0.333
EDG-MED-0da5ad92-15
0.333
JAN-GHE-5a013bed-2
0.333
PET-UNK-8df914d1-5
0.333
JAN-GHE-f4ca5a00-16
0.333
PET-UNK-158bee2a-4
0.333
JIN-POS-6dc588a4-4
0.333
EDG-MED-0da5ad92-2
0.333
MAT-POS-bb423b95-6
0.329
MAT-POS-bfb445d4-2
0.329
JIN-POS-6dc588a4-8
0.329
JAN-GHE-f4ca5a00-14
0.329
JIN-POS-6dc588a4-19
0.329
JOH-UNI-6fede743-3
0.329
ABI-SAT-4d06482b-2
0.329
JAN-GHE-5a013bed-1
0.329
VLA-UNK-411a133b-2
0.329
JAN-GHE-5a013bed-10
0.329
TRY-UNI-9f475305-7
0.326
MAT-POS-f7918075-7
0.326
RUB-POS-1325a9ea-1
0.326
PET-UNK-8df914d1-2
0.326
VLA-UNK-dc1d9354-1
0.326
JIN-POS-6dc588a4-2
0.326
MAT-POS-4211dce8-1
0.326
TRY-UNI-714a760b-3
0.325
VLA-UNK-4cf5aa07-1
0.325
PET-UNK-158bee2a-1
0.325