Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)NC1C(=O)NC2CCCCC21 |
| MW: | 306.11 |
| Fraction sp3: | 0.5 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 58.2 |
| cLogP: | 2.06 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MIC-UNK-8373f97b-5
0.852
MAT-POS-0bc33984-1
0.528
MIC-UNK-42806bd5-1
0.486
ALP-POS-90e38439-2
0.486
MAT-POS-500ca5bf-2
0.486
MIC-UNK-4c7b8ba7-1
0.473
MIC-UNK-fc94cdb5-1
0.458
ALP-POS-8b8a49e1-8
0.453
ALP-POS-8b8a49e1-7
0.451
PET-UNK-f92d7c0c-1
0.446
PET-UNK-f92d7c0c-6
0.446
MIC-UNK-42806bd5-2
0.438
ALP-POS-90e38439-3
0.438
ALP-POS-8b8a49e1-5
0.438
MIC-UNK-13557a72-1
0.427
PET-UNK-f92d7c0c-4
0.425
PET-UNK-f92d7c0c-5
0.425
RUB-POS-1325a9ea-7
0.410
RUB-POS-1325a9ea-23
0.407
NAU-LAT-a5c7d7cb-13
0.407
ALP-POS-90e38439-1
0.407
VLA-UCB-1dbca3b4-1
0.407
NAU-LAT-a5c7d7cb-14
0.398
MIC-UNK-d935700b-2
0.398
ROB-UNI-daaf9793-2
0.398
RUB-POS-1325a9ea-24
0.395
JAN-GHE-5a013bed-8
0.387
MAT-POS-0bc33984-2
0.385
RUB-POS-1325a9ea-16
0.383
ALP-POS-8b8a49e1-6
0.383
JAN-GHE-5a013bed-9
0.378
VLA-UNK-411a133b-1
0.377
ROB-UNI-daaf9793-4
0.373
ALP-POS-95b75b4d-5
0.373
PET-UNK-f92d7c0c-8
0.373
RUB-POS-1325a9ea-20
0.373
PET-UNK-f92d7c0c-2
0.373
MAT-POS-bb423b95-4
0.373
NAU-LAT-e1818702-10
0.373
JAN-GHE-5a013bed-7
0.373
EDG-MED-0da5ad92-14
0.372
JAN-GHE-f4ca5a00-12
0.370
NAU-LAT-e1818702-1
0.370
JAN-GHE-5a013bed-11
0.368
EDG-MED-0da5ad92-2
0.368
MIC-UNK-66895286-1
0.368
MIC-UNK-d935700b-1
0.366
JAN-GHE-f4ca5a00-16
0.366
PET-UNK-8df914d1-5
0.366
RUB-POS-1325a9ea-6
0.365
JAN-GHE-f4ca5a00-17
0.361
JOH-UNI-6fede743-3
0.361
JAN-GHE-f4ca5a00-14
0.361
MAT-POS-bb423b95-6
0.361
JIN-POS-6dc588a4-19
0.361
RUB-POS-1325a9ea-21
0.360
JAN-GHE-5a013bed-6
0.360
PET-UNK-158bee2a-2
0.360
SAM-UNK-2684b532-13
0.359
ALP-POS-95b75b4d-8
0.359
PET-UNK-158bee2a-3
0.359
EDG-MED-0da5ad92-13
0.359
NAU-LAT-e1818702-7
0.359
JAG-UCB-a3ef7265-17
0.359
JAN-GHE-5a013bed-4
0.359
EDG-MED-0da5ad92-21
0.359
EDJ-MED-6ab52e52-1
0.357
MIC-UNK-50cce87d-2
0.357
MAT-POS-f7918075-7
0.356
RUB-POS-1325a9ea-1
0.356
JAN-GHE-5a013bed-5
0.356
ALP-POS-95b75b4d-6
0.354
EDJ-MED-49816e9b-5
0.354
VLA-UNK-4cf5aa07-2
0.354
ROB-UNI-daaf9793-3
0.353
EDJ-MED-a364e151-3
0.353
PET-UNK-158bee2a-4
0.351
EDG-MED-0da5ad92-15
0.350
JAN-GHE-5a013bed-10
0.346
VLA-UNK-411a133b-2
0.346
ABI-SAT-4d06482b-2
0.346
JIN-POS-6dc588a4-8
0.345
VLA-UCB-00f2c2b3-7
0.345
JIN-POS-6dc588a4-20
0.344
MAT-POS-14ad9fe9-1
0.344
NAM-UNK-f7c77a48-4
0.342
PET-UNK-8df914d1-4
0.342
EDJ-MED-49816e9b-2
0.342
JAG-UCB-a3ef7265-15
0.342
EDG-MED-0da5ad92-16
0.342
RUB-POS-1325a9ea-22
0.341
PET-UNK-158bee2a-1
0.341
VLA-UNK-4cf5aa07-1
0.341
JOH-UNI-abfda500-5
0.341
ANN-UNI-98d2bf15-3
0.341
TRY-UNI-714a760b-3
0.341
MIC-UNK-51049f1a-6
0.341
MAT-POS-bb423b95-9
0.341
MAT-POS-4211dce8-1
0.341
EDJ-MED-b24713dc-4
0.341