Molecule Details
| Molecular Properties | |
| SMILES: | O=C1CC(NC(=O)Cc2cccc(Cl)c2)CCN1 |
| MW: | 266.08 |
| Fraction sp3: | 0.38 |
| HBA: | 2 |
| HBD: | 2 |
| Rotatable Bonds: | 3 |
| TPSA: | 58.2 |
| cLogP: | 1.28 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
MIC-UNK-42806bd5-2
0.667
ALP-POS-8b8a49e1-5
0.667
ALP-POS-90e38439-3
0.667
ALP-POS-8b8a49e1-7
0.633
MAT-POS-500ca5bf-2
0.571
ALP-POS-90e38439-2
0.571
MIC-UNK-42806bd5-1
0.571
MAT-POS-0bc33984-1
0.544
PET-UNK-f92d7c0c-4
0.523
PET-UNK-f92d7c0c-5
0.523
MIC-UNK-fc94cdb5-1
0.515
MIC-UNK-4c7b8ba7-1
0.507
PET-UNK-f92d7c0c-6
0.500
PET-UNK-f92d7c0c-1
0.500
ROB-UNI-daaf9793-4
0.473
MIC-UNK-8373f97b-4
0.453
ROB-UNI-daaf9793-2
0.442
NAU-LAT-a5c7d7cb-14
0.442
MIC-UNK-d935700b-2
0.442
MIC-UNK-8373f97b-5
0.440
MIC-UNK-13557a72-1
0.437
RUB-POS-1325a9ea-7
0.436
MAT-POS-0bc33984-2
0.431
ALP-POS-8b8a49e1-6
0.427
RUB-POS-1325a9ea-16
0.427
ALP-POS-90e38439-1
0.416
RUB-POS-1325a9ea-23
0.416
NAU-LAT-a5c7d7cb-13
0.416
VLA-UCB-1dbca3b4-1
0.416
JAN-GHE-f4ca5a00-16
0.408
PET-UNK-158bee2a-2
0.406
JAN-GHE-5a013bed-5
0.403
RUB-POS-1325a9ea-24
0.403
JAN-GHE-5a013bed-7
0.400
NAU-LAT-e1818702-10
0.400
ALP-POS-8b8a49e1-4
0.398
NAU-LAT-e1818702-1
0.395
JAN-GHE-f4ca5a00-12
0.395
JAN-GHE-5a013bed-11
0.394
EDG-MED-0da5ad92-2
0.394
EDG-MED-0da5ad92-15
0.392
RUB-POS-1325a9ea-6
0.388
JAN-GHE-5a013bed-6
0.386
JAN-GHE-5a013bed-9
0.386
JOH-UNI-6fede743-3
0.385
MAT-POS-bb423b95-6
0.385
JIN-POS-6dc588a4-19
0.385
JAN-GHE-f4ca5a00-17
0.385
NAM-UNK-f7c77a48-4
0.384
JAN-GHE-5a013bed-4
0.384
VLA-UNK-411a133b-1
0.384
AGN-NEW-c7b24fe3-4
0.382
AGN-NEW-c7b24fe3-5
0.382
PET-UNK-f92d7c0c-8
0.380
MAT-POS-bb423b95-4
0.380
RUB-POS-1325a9ea-20
0.380
PET-UNK-f92d7c0c-2
0.380
ALP-POS-95b75b4d-5
0.380
EDG-MED-0da5ad92-14
0.378
RUB-POS-1325a9ea-1
0.378
MAT-POS-f7918075-7
0.378
MIC-UNK-66895286-1
0.375
JAN-GHE-5a013bed-8
0.375
TRY-UNI-714a760b-6
0.373
PET-UNK-8df914d1-5
0.372
MIC-UNK-b12b7f76-2
0.372
SAD-SAT-b55127ae-1
0.370
JAN-GHE-f4ca5a00-14
0.367
RUB-POS-1325a9ea-21
0.366
NAU-LAT-e1818702-7
0.365
EDG-MED-0da5ad92-16
0.365
EDG-MED-0da5ad92-21
0.365
ALP-POS-95b75b4d-8
0.365
SAM-UNK-2684b532-13
0.365
EDJ-MED-49816e9b-2
0.365
JAG-UCB-a3ef7265-17
0.365
MAT-POS-14ad9fe9-1
0.365
VLA-UCB-1dbca3b4-2
0.362
TRY-UNI-9f475305-7
0.360
ALP-POS-95b75b4d-6
0.360
EDG-MED-0da5ad92-12
0.360
MAK-UNK-6ca90168-23
0.359
EDJ-MED-c292668a-1
0.359
VLA-UNK-4cf5aa07-2
0.359
PET-UNK-158bee2a-4
0.356
PET-UNK-f92d7c0c-3
0.355
MIC-UNK-d935700b-1
0.354
JIN-POS-6dc588a4-3
0.354
MAT-POS-199e2e7c-2
0.354
EDJ-MED-c8e7a002-16
0.354
VLA-UNK-411a133b-2
0.351
JAN-GHE-5a013bed-10
0.351
JAN-GHE-5a013bed-1
0.351
ABI-SAT-4d06482b-2
0.351
EDG-MED-0da5ad92-18
0.351
VLA-UCB-00f2c2b3-7
0.350
MIC-UNK-8971c93c-1
0.349
MAT-POS-f7918075-4
0.349
JIN-POS-6dc588a4-20
0.349
NAM-UNK-f7c77a48-3
0.347