Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)Cn1c(=O)[nH]c2ccccc21 |
| MW: | 300.07 |
| Fraction sp3: | 0.12 |
| HBA: | 3 |
| HBD: | 1 |
| Rotatable Bonds: | 4 |
| TPSA: | 54.86 |
| cLogP: | 2.79 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Ketones
aliphatic ketone not ring and not di-carbonyl
Ketone
![O=C(Cn1c(=O)[nH]c2ccccc21)Nc1cccc(Cl)c1](/static/images/loading.7a8cbb7079d7.gif)
BEN-DND-61647d40-14
0.547
VLA-UNK-dc1d9354-1
0.520
BEN-DND-61647d40-4
0.382
MAT-POS-bfb445d4-2
0.378
ROB-UNI-daaf9793-1
0.369
MAT-POS-e1b5ac6b-1
0.369
ALP-POS-90e38439-2
0.368
MIC-UNK-42806bd5-1
0.368
MAT-POS-500ca5bf-2
0.368
JAN-GHE-5a013bed-2
0.366
ALP-POS-8b8a49e1-5
0.364
ALP-POS-90e38439-3
0.364
MIC-UNK-42806bd5-2
0.364
ALP-POS-8b8a49e1-8
0.362
MIC-UNK-4c7b8ba7-1
0.362
JAN-GHE-5a013bed-4
0.359
MAT-POS-0bc33984-2
0.350
JIN-POS-6dc588a4-5
0.349
MAT-POS-0c8fa4a7-3
0.349
MIC-UNK-fc94cdb5-1
0.346
JAN-GHE-5a013bed-1
0.346
EDJ-MED-c8e7a002-11
0.345
NAU-LAT-a5c7d7cb-10
0.345
NAM-UNK-f7c77a48-3
0.342
VLA-UNK-411a133b-1
0.342
NAM-UNK-f7c77a48-4
0.342
MAT-POS-0bc33984-1
0.341
EDJ-MED-50fe53e8-3
0.341
VLA-UCB-1dbca3b4-5
0.341
JAN-GHE-5a013bed-5
0.338
ALP-POS-8b8a49e1-7
0.338
MIC-UNK-13557a72-1
0.338
EDJ-MED-c292668a-1
0.337
NAU-LAT-a5c7d7cb-11
0.337
EDG-MED-0da5ad92-2
0.333
JAN-GHE-5a013bed-11
0.333
RUB-POS-1325a9ea-7
0.330
MIC-UNK-8971c93c-1
0.330
MAT-POS-f7918075-4
0.330
JIN-POS-6dc588a4-19
0.329
JOH-UNI-6fede743-3
0.329
PET-UNK-e44ffd04-1
0.329
BEN-DND-02317c5c-8
0.329
NAU-LAT-a5c7d7cb-12
0.329
MAT-POS-bb423b95-6
0.329
EDG-MED-0da5ad92-18
0.329
VLA-UNK-411a133b-2
0.329
MAT-POS-4211dce8-1
0.326
JIN-POS-6dc588a4-9
0.326
RUB-POS-1325a9ea-23
0.326
ALP-POS-90e38439-1
0.326
NAU-LAT-a5c7d7cb-13
0.326
VLA-UCB-1dbca3b4-1
0.326
PET-UNK-158bee2a-2
0.325
JAN-GHE-5a013bed-9
0.325
ALP-POS-6495d03e-7
0.322
JIN-POS-6dc588a4-17
0.322
EDG-MED-0da5ad92-14
0.321
EDJ-MED-49816e9b-5
0.321
MAR-TRE-fffca54f-92
0.320
NAU-LAT-a5c7d7cb-14
0.318
ROB-UNI-daaf9793-2
0.318
MAT-POS-7174c657-2
0.318
JAN-GHE-5a013bed-3
0.318
MIC-UNK-b12b7f76-2
0.318
ALP-POS-8b8a49e1-6
0.318
RUB-POS-1325a9ea-16
0.318
PET-UNK-8df914d1-5
0.318
TRY-UNI-714a760b-6
0.317
PET-UNK-f92d7c0c-5
0.316
MIC-UNK-66895286-1
0.316
PET-UNK-f92d7c0c-4
0.316
JAN-GHE-5a013bed-8
0.316
MAT-POS-3b92565d-13
0.315
VLA-UCB-00f2c2b3-7
0.314
JAN-GHE-f4ca5a00-17
0.314
RUB-POS-1325a9ea-24
0.314
MIC-UNK-8373f97b-5
0.314
JAN-GHE-f4ca5a00-14
0.314
SAD-SAT-b55127ae-1
0.312
JAN-GHE-5a013bed-10
0.312
MIC-UNK-8373f97b-2
0.311
EDJ-MED-06d94977-2
0.311
RUB-POS-1325a9ea-1
0.311
MAT-POS-f7918075-7
0.311
ROB-CAM-6936528f-1
0.310
PET-UNK-8df914d1-2
0.310
MIC-UNK-8373f97b-4
0.310
ROB-UNI-daaf9793-4
0.310
JOH-UNI-abfda500-4
0.310
RUB-POS-1325a9ea-22
0.310
PET-UNK-158bee2a-1
0.310
VLA-UNK-4cf5aa07-1
0.310
EDG-MED-0da5ad92-1
0.310
JAN-GHE-83b26c96-15
0.310
EDG-MED-0da5ad92-21
0.309
PET-UNK-8df914d1-4
0.309
EDJ-MED-49816e9b-2
0.309
PET-UNK-158bee2a-3
0.309
JAG-UCB-a3ef7265-17
0.309