Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)N1CC2CCC1C2 |
| MW: | 249.09 |
| Fraction sp3: | 0.5 |
| HBA: | 1 |
| HBD: | 0 |
| Rotatable Bonds: | 2 |
| TPSA: | 20.31 |
| cLogP: | 2.89 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Mcule: | MCULE-2716589946 |
TRY-UNI-714a760b-6
DAN-LON-a5fc619e-8
0.449
NAM-UNK-f7c77a48-3
0.446
PET-UNK-8df914d1-5
0.444
MIC-UNK-13557a72-1
0.435
PET-UNK-f92d7c0c-4
0.433
PET-UNK-f92d7c0c-5
0.433
SAD-SAT-b55127ae-1
0.426
MIC-UNK-b12b7f76-2
0.425
MAT-POS-7174c657-2
0.421
ALP-POS-8b8a49e1-7
0.418
PET-UNK-f92d7c0c-1
0.414
PET-UNK-f92d7c0c-6
0.414
JAN-GHE-f4ca5a00-12
0.411
NAU-LAT-e1818702-1
0.411
MAT-POS-7174c657-3
0.403
VLA-UNK-411a133b-1
0.400
EDJ-MED-c292668a-1
0.392
MAK-UNK-10799360-36
0.392
MIC-UNK-42806bd5-1
0.391
ALP-POS-90e38439-2
0.391
MAT-POS-500ca5bf-2
0.391
PET-UNK-f92d7c0c-3
0.389
MAT-POS-0c8fa4a7-3
0.387
MIC-UNK-42806bd5-2
0.386
ALP-POS-90e38439-3
0.386
ALP-POS-8b8a49e1-5
0.386
JAN-GHE-5a013bed-1
0.386
ALP-POS-8b8a49e1-8
0.384
JAN-GHE-f4ca5a00-17
0.382
JAN-GHE-5a013bed-5
0.379
ROB-CAM-6936528f-1
0.377
PET-UNK-f92d7c0c-7
0.373
SAM-UNK-2684b532-14
0.372
JAN-GHE-f4ca5a00-16
0.368
RUB-POS-1325a9ea-16
0.368
ALP-POS-8b8a49e1-6
0.368
ALP-POS-902f21bb-1
0.367
MIC-UNK-fc94cdb5-1
0.366
MIC-UNK-4c7b8ba7-1
0.365
MED-COV-4280ac29-13
0.365
JAN-GHE-f4ca5a00-14
0.364
AHN-SAT-721e3e40-1
0.362
ALP-POS-cd485364-1
0.362
JAN-GHE-5a013bed-9
0.362
EDJ-MED-239d8ca5-1
0.361
JAG-UCB-a3ef7265-15
0.361
MAT-POS-0bc33984-1
0.360
JIN-POS-6dc588a4-2
0.359
MAK-UNK-ec98eaf6-44
0.359
ROB-UNI-daaf9793-4
0.359
MIC-UNK-0870516a-3
0.359
EDJ-MED-49816e9b-5
0.356
MIC-UNK-0870516a-4
0.356
RUB-POS-1325a9ea-13
0.354
MAT-POS-0c8fa4a7-4
0.354
ALP-POS-6495d03e-7
0.354
MAT-POS-0c8fa4a7-2
0.354
MAT-POS-53907a1c-1
0.354
EDG-MED-0da5ad92-2
0.352
VLA-UNK-411a133b-2
0.347
MIC-UNK-8373f97b-5
0.346
JIN-POS-6dc588a4-8
0.346
MAT-POS-bfb445d4-2
0.346
VLA-UCB-00f2c2b3-7
0.346
MAK-UNK-ec98eaf6-1
0.345
ALP-POS-cd485364-2
0.345
JAN-GHE-5a013bed-6
0.343
PET-UNK-158bee2a-2
0.343
NAU-LAT-e1818702-7
0.342
JAG-UCB-a3ef7265-17
0.342
PET-UNK-8df914d1-4
0.342
JAN-GHE-5a013bed-4
0.342
DAN-LON-a5fc619e-1
0.342
MIC-UNK-8373f97b-4
0.342
NAU-LAT-a5c7d7cb-13
0.342
ALP-POS-90e38439-1
0.342
MAT-POS-bb423b95-4
0.342
ALP-POS-95b75b4d-5
0.342
RUB-POS-1325a9ea-23
0.342
VLA-UCB-1dbca3b4-1
0.342
VLA-UCB-1dbca3b4-2
0.342
MAT-POS-bb423b95-9
0.342
DAR-DIA-3e9bbd81-3
0.341
MAK-UNK-ec98eaf6-6
0.341
NAU-LAT-e1818702-10
0.338
JAN-GHE-5a013bed-7
0.338
EDG-MED-0da5ad92-12
0.338
EDJ-MED-49816e9b-3
0.338
VLA-UNK-4cf5aa07-2
0.338
JAN-GHE-83b26c96-16
0.338
MAK-UNK-ec98eaf6-13
0.338
EDJ-MED-a364e151-3
0.338
MAK-UNK-ec98eaf6-45
0.337
RUB-POS-1325a9ea-6
0.333
PET-UNK-158bee2a-4
0.333
JIN-POS-6dc588a4-5
0.333
MAK-UNK-df1a028e-8
0.333
MAK-UNK-ec98eaf6-4
0.333
MAK-UNK-ec98eaf6-49
0.333
MAT-POS-199e2e7c-2
0.333