Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)NC1CN2CCC1CC2 |
| MW: | 278.12 |
| Fraction sp3: | 0.53 |
| HBA: | 2 |
| HBD: | 1 |
| Rotatable Bonds: | 3 |
| TPSA: | 32.34 |
| cLogP: | 2.09 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
ALP-POS-8b8a49e1-7
0.500
PET-UNK-f92d7c0c-5
0.492
PET-UNK-f92d7c0c-4
0.492
PET-UNK-f92d7c0c-1
0.471
PET-UNK-f92d7c0c-6
0.471
ALP-POS-90e38439-2
0.470
MIC-UNK-42806bd5-1
0.470
MAT-POS-500ca5bf-2
0.470
MIC-UNK-42806bd5-2
0.441
ALP-POS-8b8a49e1-5
0.441
ALP-POS-90e38439-3
0.441
MIC-UNK-fc94cdb5-1
0.441
JAN-GHE-5a013bed-5
0.438
MIC-UNK-4c7b8ba7-1
0.437
ALP-POS-8b8a49e1-8
0.437
NAM-UNK-f7c77a48-4
0.435
MIC-UNK-8373f97b-5
0.432
MAT-POS-0bc33984-1
0.431
MIC-UNK-8373f97b-4
0.427
MIC-UNK-b12b7f76-2
0.419
NAU-LAT-e1818702-7
0.414
JAG-UCB-a3ef7265-17
0.414
JAN-GHE-f4ca5a00-17
0.413
RUB-POS-1325a9ea-20
0.408
PET-UNK-f92d7c0c-2
0.408
PET-UNK-f92d7c0c-8
0.408
ALP-POS-90e38439-1
0.408
NAU-LAT-a5c7d7cb-13
0.408
RUB-POS-1325a9ea-23
0.408
VLA-UCB-1dbca3b4-1
0.408
JAN-GHE-f4ca5a00-12
0.405
NAU-LAT-e1818702-1
0.405
RUB-POS-1325a9ea-16
0.400
VLA-UNK-411a133b-2
0.400
JAN-GHE-f4ca5a00-16
0.400
SAD-SAT-b55127ae-1
0.400
JAN-GHE-5a013bed-1
0.400
PET-UNK-8df914d1-5
0.400
ALP-POS-8b8a49e1-6
0.400
NAU-LAT-a5c7d7cb-14
0.397
ROB-UNI-daaf9793-2
0.397
RUB-POS-1325a9ea-6
0.397
JAN-GHE-5a013bed-9
0.397
NAM-UNK-f7c77a48-3
0.397
JAN-GHE-f4ca5a00-14
0.395
RUB-POS-1325a9ea-24
0.395
VLA-UNK-411a133b-1
0.394
JAN-GHE-5a013bed-7
0.391
NAU-LAT-e1818702-10
0.391
ROB-UNI-daaf9793-4
0.390
EDJ-MED-49816e9b-3
0.389
EDJ-MED-49816e9b-5
0.389
MIC-UNK-66895286-1
0.386
EDG-MED-0da5ad92-2
0.386
JAN-GHE-5a013bed-11
0.386
PET-UNK-f92d7c0c-3
0.384
MIC-UNK-13557a72-2
0.383
MAT-POS-7174c657-2
0.380
MAT-POS-7174c657-3
0.380
PET-UNK-158bee2a-2
0.377
JAN-GHE-5a013bed-6
0.377
JIN-POS-6dc588a4-8
0.377
MAT-POS-bfb445d4-2
0.377
RUB-POS-1325a9ea-21
0.375
PET-UNK-8df914d1-4
0.375
RUB-POS-1325a9ea-7
0.375
EDG-MED-0da5ad92-13
0.375
JAG-UCB-a3ef7265-15
0.375
EDG-MED-0da5ad92-16
0.375
JAN-GHE-5a013bed-4
0.375
JOH-UNI-abfda500-4
0.373
MAT-POS-bb423b95-4
0.372
ALP-POS-95b75b4d-5
0.372
EDJ-MED-6e43a462-11
0.370
EDG-MED-0da5ad92-12
0.370
EDG-MED-0da5ad92-14
0.370
PET-UNK-f92d7c0c-7
0.368
VLA-UNK-4cf5aa07-2
0.368
NAU-LAT-a5c7d7cb-11
0.367
PET-UNK-158bee2a-4
0.366
JAN-GHE-5a013bed-8
0.366
TRY-UNI-714a760b-6
0.365
EDG-MED-0da5ad92-15
0.365
MAT-POS-0bc33984-2
0.365
JAN-GHE-5a013bed-2
0.364
JIN-POS-6dc588a4-5
0.364
MIC-UNK-d935700b-2
0.362
JAN-GHE-5a013bed-10
0.361
EDG-MED-0da5ad92-18
0.360
ABI-SAT-4d06482b-2
0.360
EDJ-MED-c8e7a002-11
0.359
NAU-LAT-a5c7d7cb-10
0.359
EDJ-MED-239d8ca5-1
0.357
SAM-UNK-2684b532-13
0.356
EDG-MED-0da5ad92-21
0.356
ALP-POS-95b75b4d-8
0.356
PET-UNK-158bee2a-3
0.356
EDJ-MED-49816e9b-2
0.356
VLA-UNK-4cf5aa07-1
0.355
AGN-NEW-c7b24fe3-4
0.355