Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)NC1CC(=O)c2ccccc21 |
| MW: | 299.07 |
| Fraction sp3: | 0.18 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 46.17 |
| cLogP: | 3.33 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Ketone
RUB-POS-1325a9ea-16
1.000
NAU-LAT-a5c7d7cb-14
0.562
ROB-UNI-daaf9793-2
0.562
RUB-POS-1325a9ea-20
0.534
PET-UNK-f92d7c0c-8
0.534
PET-UNK-f92d7c0c-2
0.534
MIC-UNK-fc94cdb5-1
0.515
ROB-UNI-daaf9793-4
0.514
RUB-POS-1325a9ea-21
0.513
MAT-POS-500ca5bf-2
0.500
ALP-POS-90e38439-2
0.500
MIC-UNK-42806bd5-1
0.500
RUB-POS-1325a9ea-6
0.500
MIC-UNK-4c7b8ba7-1
0.466
ALP-POS-8b8a49e1-7
0.464
VLA-UCB-1dbca3b4-1
0.455
NAU-LAT-a5c7d7cb-13
0.455
ALP-POS-90e38439-1
0.455
RUB-POS-1325a9ea-23
0.455
MIC-UNK-42806bd5-2
0.451
ALP-POS-8b8a49e1-5
0.451
ALP-POS-90e38439-3
0.451
RUB-POS-1325a9ea-24
0.442
RUB-POS-1325a9ea-7
0.438
ALP-POS-8b8a49e1-2
0.435
ALP-POS-8b8a49e1-8
0.427
PET-UNK-f92d7c0c-5
0.417
PET-UNK-f92d7c0c-4
0.417
JAN-GHE-f4ca5a00-17
0.405
RUB-POS-1325a9ea-22
0.403
MAT-POS-0bc33984-1
0.403
MIC-UNK-13557a72-1
0.400
PET-UNK-f92d7c0c-6
0.400
PET-UNK-f92d7c0c-1
0.400
ROB-UNI-daaf9793-3
0.395
MIC-UNK-8373f97b-5
0.388
PET-UNK-f92d7c0c-9
0.384
ALP-POS-95b75b4d-5
0.383
MAT-POS-bb423b95-4
0.383
MIC-UNK-8373f97b-4
0.383
PET-UNK-8df914d1-5
0.375
MIC-UNK-d935700b-2
0.373
NAM-UNK-f7c77a48-4
0.368
JAN-GHE-5a013bed-5
0.366
MAT-POS-4211dce8-1
0.366
JAN-GHE-5a013bed-7
0.365
NAU-LAT-e1818702-10
0.365
NAU-LAT-e1818702-1
0.362
JAN-GHE-f4ca5a00-12
0.362
MIC-UNK-66895286-1
0.360
MAT-POS-0bc33984-2
0.359
JAN-GHE-f4ca5a00-16
0.358
JAN-GHE-f4ca5a00-14
0.354
JAN-GHE-5a013bed-9
0.351
NAM-UNK-f7c77a48-3
0.351
JAN-GHE-5a013bed-6
0.351
PET-UNK-8df914d1-4
0.351
JAN-GHE-5a013bed-4
0.351
EDG-MED-0da5ad92-21
0.351
JAG-UCB-a3ef7265-17
0.351
NAU-LAT-e1818702-7
0.351
JIN-POS-6dc588a4-7
0.349
EDG-MED-0da5ad92-14
0.346
EDJ-MED-49816e9b-5
0.346
JAN-GHE-5a013bed-8
0.342
JAN-GHE-5a013bed-11
0.342
EDG-MED-0da5ad92-2
0.342
PET-UNK-f92d7c0c-3
0.342
EDG-MED-0da5ad92-15
0.342
MIC-UNK-b12b7f76-2
0.341
JAN-GHE-5a013bed-3
0.341
JAN-GHE-5a013bed-10
0.338
JAN-GHE-5a013bed-1
0.338
VLA-UNK-411a133b-2
0.338
ABI-SAT-4d06482b-2
0.338
JIN-POS-6dc588a4-19
0.337
BEN-DND-02317c5c-8
0.337
MAT-POS-bb423b95-6
0.337
MAT-POS-bfb445d4-2
0.337
NAU-LAT-a5c7d7cb-12
0.337
PET-UNK-e44ffd04-1
0.337
ALP-POS-3b848b35-3
0.337
JOH-UNI-6fede743-3
0.337
SAM-UNK-2684b532-13
0.333
EDG-MED-0da5ad92-13
0.333
JAG-UCB-a3ef7265-15
0.333
RUB-POS-1325a9ea-1
0.333
PET-UNK-8df914d1-2
0.333
VLA-UNK-411a133b-1
0.333
EDJ-MED-49816e9b-2
0.333
EDG-MED-0da5ad92-16
0.333
MAT-POS-f7918075-7
0.333
VLA-UNK-dc1d9354-1
0.333
VLA-UNK-4cf5aa07-1
0.333
JIN-POS-6dc588a4-9
0.333
AGN-NEW-c7b24fe3-5
0.333
ALP-POS-95b75b4d-8
0.333
BEN-DND-02317c5c-9
0.329
NAU-LAT-a5c7d7cb-11
0.329
ALP-POS-0c2c77e1-1
0.329