Molecule Details
| Molecular Properties | |
| SMILES: | NC(=O)CC1(NC(=O)Cc2cccc(Cl)c2)C(=O)Nc2ccccc21 |
| MW: | 357.09 |
| Fraction sp3: | 0.17 |
| HBA: | 3 |
| HBD: | 3 |
| Rotatable Bonds: | 5 |
| TPSA: | 101.29 |
| cLogP: | 1.72 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
Long aliphatic chain
MIC-UNK-8373f97b-1
0.550
MAT-POS-0bc33984-2
0.418
NAU-LAT-a5c7d7cb-13
0.388
VLA-UCB-1dbca3b4-1
0.388
ALP-POS-90e38439-1
0.388
RUB-POS-1325a9ea-23
0.388
MIC-UNK-8373f97b-3
0.380
ROB-UNI-daaf9793-2
0.379
NAU-LAT-a5c7d7cb-14
0.379
RUB-POS-1325a9ea-24
0.376
MIC-UNK-66895286-1
0.367
MIC-UNK-b12b7f76-2
0.365
MIC-UNK-fc94cdb5-1
0.362
MIC-UNK-10ba69b4-2
0.362
JIN-POS-6dc588a4-19
0.360
JOH-UNI-6fede743-3
0.360
MAT-POS-bb423b95-6
0.360
JAN-GHE-5a013bed-9
0.359
JAN-GHE-5a013bed-4
0.358
JAG-UCB-a3ef7265-15
0.358
MIC-UNK-10ba69b4-3
0.358
VLA-UNK-dc1d9354-1
0.356
JAN-GHE-5a013bed-5
0.355
MIC-UNK-10ba69b4-1
0.354
ALP-POS-90e38439-2
0.350
MIC-UNK-42806bd5-1
0.350
JAN-GHE-5a013bed-11
0.350
MAT-POS-500ca5bf-2
0.350
MIC-UNK-42806bd5-2
0.346
ALP-POS-8b8a49e1-5
0.346
JAN-GHE-5a013bed-1
0.346
ALP-POS-90e38439-3
0.346
JAN-GHE-f4ca5a00-17
0.345
MAT-POS-bfb445d4-2
0.345
MIC-UNK-8971c93c-1
0.344
MAT-POS-f7918075-4
0.344
PET-UNK-158bee2a-2
0.342
VLA-UNK-411a133b-1
0.341
ANN-UNI-98d2bf15-3
0.341
JOH-UNI-abfda500-5
0.341
RUB-POS-1325a9ea-1
0.341
MAT-POS-f7918075-7
0.341
NAU-LAT-e1818702-10
0.338
JAN-GHE-5a013bed-7
0.338
ALP-POS-8b8a49e1-7
0.338
PET-UNK-158bee2a-4
0.333
JIN-POS-6dc588a4-5
0.333
EDG-MED-0da5ad92-2
0.333
MIC-UNK-7574fcc6-1
0.330
MAT-POS-f7918075-8
0.330
MIC-UNK-8373f97b-5
0.330
ALP-POS-8b8a49e1-8
0.329
MIC-UNK-4c7b8ba7-1
0.329
VLA-UNK-411a133b-2
0.329
MIC-UNK-8373f97b-4
0.326
JIN-POS-6dc588a4-9
0.326
JIN-POS-6dc588a4-7
0.326
MAT-POS-4211dce8-1
0.326
RUB-POS-1325a9ea-22
0.326
MAT-POS-0bc33984-1
0.326
EDG-MED-0da5ad92-21
0.325
JAG-UCB-a3ef7265-17
0.325
EDG-MED-0da5ad92-13
0.325
NAU-LAT-e1818702-7
0.325
JAN-GHE-5a013bed-6
0.325
NAU-LAT-e1818702-8
0.322
NAU-LAT-e1818702-9
0.322
ROB-UNI-daaf9793-3
0.322
ROB-UNI-daaf9793-1
0.322
MAT-POS-e1b5ac6b-1
0.322
VLA-UNK-4cf5aa07-2
0.322
NAU-LAT-e1818702-1
0.322
JAN-GHE-f4ca5a00-12
0.322
EDG-MED-0da5ad92-12
0.321
EDJ-MED-49816e9b-3
0.321
EDJ-MED-49816e9b-5
0.321
EDG-MED-0da5ad92-14
0.321
ALP-POS-95b75b4d-6
0.321
MAT-POS-199e2e7c-2
0.319
JIN-POS-6dc588a4-14
0.319
JAN-GHE-5a013bed-3
0.319
MIC-UNK-d935700b-1
0.318
JAN-GHE-5a013bed-2
0.318
JAN-GHE-f4ca5a00-16
0.318
ALP-POS-8b8a49e1-6
0.318
RUB-POS-1325a9ea-16
0.318
EDG-MED-0da5ad92-15
0.318
JAN-GHE-5a013bed-8
0.317
PET-UNK-f92d7c0c-5
0.317
PET-UNK-f92d7c0c-4
0.317
RUB-POS-1325a9ea-7
0.315
RUB-POS-1325a9ea-21
0.315
PET-UNK-e44ffd04-1
0.315
NAU-LAT-a5c7d7cb-12
0.315
JAN-GHE-f4ca5a00-14
0.315
BEN-DND-02317c5c-8
0.315
ALP-POS-3b848b35-3
0.315
EDJ-MED-c8e7a002-11
0.315
NAU-LAT-a5c7d7cb-10
0.315
ALP-POS-95b75b4d-7
0.315