Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)NC1=CC(=O)c2ccccc2C1 |
| MW: | 311.07 |
| Fraction sp3: | 0.11 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 46.17 |
| cLogP: | 3.32 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Enamines
Ketone
RUB-POS-1325a9ea-22
0.442
ROB-UNI-daaf9793-4
0.438
EDG-MED-0da5ad92-2
0.419
EDJ-MED-c292668a-1
0.418
JAN-GHE-5a013bed-9
0.411
SAM-UNK-2684b532-13
0.408
PET-UNK-8df914d1-4
0.408
ALP-POS-95b75b4d-8
0.408
ADA-UCB-6c2cb422-1
0.407
JAN-GHE-5a013bed-7
0.405
NAU-LAT-e1818702-10
0.405
EDG-MED-0da5ad92-12
0.403
PET-UNK-158bee2a-4
0.400
MIC-UNK-66895286-1
0.400
JAN-GHE-5a013bed-8
0.400
MAT-POS-90fd5f68-38
0.395
ALP-POS-8b8a49e1-6
0.395
RUB-POS-1325a9ea-16
0.395
JAN-GHE-5a013bed-6
0.392
NAM-UNK-f7c77a48-3
0.392
PET-UNK-158bee2a-2
0.392
MAT-POS-90fd5f68-1
0.391
NAU-LAT-e1818702-7
0.390
VLA-UNK-411a133b-1
0.390
JAG-UCB-a3ef7265-17
0.390
PET-UNK-158bee2a-3
0.390
JIN-POS-6dc588a4-11
0.388
RUB-POS-1325a9ea-7
0.388
TRY-UNI-714a760b-3
0.388
ALP-POS-8b8a49e1-7
0.387
ROB-CAM-6936528f-1
0.386
MAT-POS-bb423b95-1
0.386
MAT-POS-f7918075-7
0.384
RUB-POS-1325a9ea-1
0.384
JAN-GHE-5a013bed-11
0.382
MAT-POS-500ca5bf-2
0.382
ALP-POS-90e38439-2
0.382
MIC-UNK-42806bd5-1
0.382
MAT-POS-bb423b95-3
0.381
ALP-POS-0c2c77e1-1
0.381
EDG-MED-0da5ad92-15
0.380
PET-UNK-8df914d1-3
0.380
MIC-UNK-d935700b-1
0.378
VLA-UNK-411a133b-2
0.377
JAN-GHE-5a013bed-10
0.377
MAT-POS-bb423b95-8
0.376
RUB-POS-1325a9ea-6
0.376
MAT-POS-90fd5f68-8
0.376
EDG-MED-0da5ad92-18
0.375
MIC-UNK-4c7b8ba7-1
0.375
ALP-POS-3b848b35-3
0.373
MAT-POS-bb423b95-6
0.373
JOH-UNI-6fede743-3
0.373
JIN-POS-6dc588a4-19
0.373
JIN-POS-6dc588a4-23
0.372
RUB-POS-1325a9ea-21
0.372
EDJ-MED-a364e151-2
0.372
EDG-MED-0da5ad92-13
0.372
EDG-MED-0da5ad92-21
0.372
EDJ-MED-49816e9b-2
0.372
EDG-MED-0da5ad92-16
0.372
JAG-UCB-a3ef7265-15
0.372
MAT-POS-90fd5f68-4
0.371
JIN-POS-6dc588a4-20
0.371
MAT-POS-c20a539d-5
0.371
PET-UNK-6314f867-2
0.371
VLA-UNK-4cf5aa07-1
0.370
PET-UNK-158bee2a-1
0.370
MAT-POS-4211dce8-1
0.369
BEN-DND-1e24cf73-1
0.369
MAT-POS-bb423b95-4
0.369
ALP-POS-95b75b4d-5
0.369
PET-UNK-f92d7c0c-2
0.369
RUB-POS-1325a9ea-20
0.369
PET-UNK-f92d7c0c-8
0.369
JIN-POS-6dc588a4-9
0.369
MIC-UNK-51049f1a-6
0.369
MAT-POS-29385cc1-3
0.368
MAT-POS-c20a539d-6
0.368
EDG-MED-0da5ad92-14
0.367
ALP-POS-95b75b4d-6
0.367
EDJ-MED-49816e9b-3
0.367
EDJ-MED-49816e9b-5
0.367
AGN-NEW-c7b24fe3-1
0.366
VLA-UNK-4cf5aa07-2
0.366
NAU-LAT-e1818702-1
0.366
JAN-GHE-f4ca5a00-12
0.366
EDJ-MED-50fe53e8-1
0.365
EDJ-MED-a364e151-3
0.365
JIN-POS-6dc588a4-22
0.365
MAT-POS-3cc264b0-1
0.365
ROB-UNI-daaf9793-1
0.365
MAT-POS-e1b5ac6b-1
0.365
PET-UNK-b1ef24dc-2
0.365
MAT-POS-90fd5f68-37
0.364
MIC-UNK-668ac5de-1
0.364
MAT-POS-90fd5f68-2
0.363
MAT-POS-0bc33984-2
0.362
TRY-UNI-714a760b-6
0.362
PET-UNK-8df914d1-5
0.361