Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)NC1C(=O)NC2CCCC21 |
| MW: | 292.1 |
| Fraction sp3: | 0.47 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 58.2 |
| cLogP: | 1.67 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MIC-UNK-8373f97b-4
0.852
MAT-POS-0bc33984-1
0.493
MAT-POS-500ca5bf-2
0.493
MIC-UNK-42806bd5-1
0.493
ALP-POS-90e38439-2
0.493
MIC-UNK-4c7b8ba7-1
0.479
MIC-UNK-fc94cdb5-1
0.465
ALP-POS-8b8a49e1-7
0.457
PET-UNK-f92d7c0c-1
0.452
PET-UNK-f92d7c0c-6
0.452
ALP-POS-8b8a49e1-5
0.444
MIC-UNK-42806bd5-2
0.444
ALP-POS-90e38439-3
0.444
ALP-POS-8b8a49e1-8
0.440
MIC-UNK-13557a72-1
0.432
PET-UNK-f92d7c0c-5
0.431
PET-UNK-f92d7c0c-4
0.431
RUB-POS-1325a9ea-7
0.415
RUB-POS-1325a9ea-23
0.412
NAU-LAT-a5c7d7cb-13
0.412
ALP-POS-90e38439-1
0.412
VLA-UCB-1dbca3b4-1
0.412
NAU-LAT-a5c7d7cb-14
0.402
MIC-UNK-d935700b-2
0.402
ROB-UNI-daaf9793-2
0.402
JAN-GHE-5a013bed-8
0.392
MAT-POS-0bc33984-2
0.390
RUB-POS-1325a9ea-16
0.388
JAN-GHE-f4ca5a00-16
0.388
ALP-POS-8b8a49e1-6
0.388
JAN-GHE-5a013bed-9
0.384
RUB-POS-1325a9ea-24
0.383
EDG-MED-0da5ad92-21
0.382
RUB-POS-1325a9ea-21
0.381
NAU-LAT-e1818702-10
0.378
JAN-GHE-5a013bed-7
0.378
PET-UNK-f92d7c0c-8
0.378
ROB-UNI-daaf9793-4
0.378
ALP-POS-95b75b4d-5
0.378
RUB-POS-1325a9ea-20
0.378
MAT-POS-bb423b95-4
0.378
PET-UNK-f92d7c0c-2
0.378
EDG-MED-0da5ad92-14
0.377
JAN-GHE-f4ca5a00-12
0.375
NAU-LAT-e1818702-1
0.375
MIC-UNK-66895286-1
0.373
JAN-GHE-5a013bed-11
0.373
EDG-MED-0da5ad92-2
0.373
PET-UNK-8df914d1-5
0.370
MIC-UNK-d935700b-1
0.370
RUB-POS-1325a9ea-6
0.369
VLA-UNK-411a133b-2
0.368
JAN-GHE-f4ca5a00-14
0.366
JAN-GHE-f4ca5a00-17
0.366
JAN-GHE-5a013bed-6
0.365
PET-UNK-158bee2a-2
0.365
NAU-LAT-e1818702-7
0.364
JAG-UCB-a3ef7265-17
0.364
PET-UNK-158bee2a-3
0.364
VLA-UNK-411a133b-1
0.364
EDG-MED-0da5ad92-13
0.364
JAN-GHE-5a013bed-4
0.364
MIC-UNK-50cce87d-2
0.361
EDJ-MED-6ab52e52-1
0.361
JAN-GHE-5a013bed-5
0.361
MAT-POS-f7918075-7
0.360
RUB-POS-1325a9ea-1
0.360
ALP-POS-95b75b4d-6
0.359
PET-UNK-f92d7c0c-7
0.358
JIN-POS-6dc588a4-17
0.357
EDJ-MED-a364e151-3
0.357
PET-UNK-158bee2a-4
0.355
EDG-MED-0da5ad92-15
0.354
JAN-GHE-5a013bed-10
0.351
ABI-SAT-4d06482b-2
0.350
VLA-UCB-00f2c2b3-7
0.349
JIN-POS-6dc588a4-8
0.349
JOH-UNI-6fede743-3
0.349
MAT-POS-bb423b95-6
0.349
JIN-POS-6dc588a4-19
0.349
MAT-POS-14ad9fe9-1
0.348
JIN-POS-6dc588a4-20
0.348
JAG-UCB-a3ef7265-15
0.346
SAM-UNK-2684b532-13
0.346
ALP-POS-95b75b4d-8
0.346
NAM-UNK-f7c77a48-4
0.346
PET-UNK-8df914d1-4
0.346
EDJ-MED-49816e9b-2
0.346
EDG-MED-0da5ad92-16
0.346
PET-UNK-158bee2a-1
0.346
VLA-UNK-4cf5aa07-1
0.346
RUB-POS-1325a9ea-22
0.346
JOH-UNI-abfda500-5
0.346
ANN-UNI-98d2bf15-3
0.346
MIC-UNK-51049f1a-6
0.345
MAT-POS-4211dce8-1
0.345
EDJ-MED-49816e9b-5
0.342
EDJ-MED-49816e9b-3
0.342
EDG-MED-0da5ad92-12
0.342
VLA-UNK-4cf5aa07-2
0.341