Molecule Details
| Molecular Properties | |
| SMILES: | O=C(Cc1cccc(Cl)c1)N1Cc2ccccc2C1 |
| MW: | 271.08 |
| Fraction sp3: | 0.19 |
| HBA: | 1 |
| HBD: | 0 |
| Rotatable Bonds: | 2 |
| TPSA: | 20.31 |
| cLogP: | 3.42 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✗ |
| Source | |
| Mcule: | MCULE-5704567951 |
TRY-UNI-714a760b-6
EDJ-MED-c292668a-1
0.678
MAT-POS-7174c657-3
0.576
SAD-SAT-b55127ae-1
0.525
ROB-CAM-6936528f-1
0.500
MAT-POS-7174c657-2
0.465
NAM-UNK-f7c77a48-4
0.446
SAM-UNK-2684b532-14
0.431
JAN-GHE-5a013bed-5
0.426
RUB-POS-1325a9ea-6
0.425
MAT-POS-0c8fa4a7-3
0.408
JAN-GHE-f4ca5a00-17
0.403
RUB-POS-1325a9ea-20
0.397
PET-UNK-f92d7c0c-2
0.397
PET-UNK-f92d7c0c-8
0.397
ROB-UNI-daaf9793-4
0.397
MIC-UNK-13557a72-1
0.397
MAT-POS-500ca5bf-2
0.394
MIC-UNK-42806bd5-1
0.394
ALP-POS-90e38439-2
0.394
MAT-POS-0c8fa4a7-4
0.392
ROB-UNI-daaf9793-3
0.392
JAN-GHE-5a013bed-1
0.388
ALP-POS-902f21bb-1
0.387
JAN-GHE-f4ca5a00-14
0.384
JAG-UCB-a3ef7265-15
0.382
JAN-GHE-5a013bed-4
0.382
PET-UNK-8df914d1-4
0.382
VLA-UNK-411a133b-1
0.382
RUB-POS-1325a9ea-7
0.382
RUB-POS-1325a9ea-21
0.382
NAU-LAT-e1818702-10
0.379
JAN-GHE-5a013bed-7
0.379
ALP-POS-8b8a49e1-7
0.379
EDJ-MED-49816e9b-5
0.377
ALP-POS-6495d03e-7
0.373
JAN-GHE-5a013bed-11
0.373
PET-UNK-f92d7c0c-4
0.373
PET-UNK-f92d7c0c-5
0.373
PET-UNK-8df914d1-5
0.370
JAN-GHE-5a013bed-2
0.370
MIC-UNK-b12b7f76-2
0.370
JAN-GHE-f4ca5a00-16
0.370
HYO-UNK-49a60884-1
0.369
JOH-UNI-0e1753c1-3
0.369
AAR-POS-d2a4d1df-35
0.369
MED-COV-4280ac29-15
0.369
ALP-POS-8b8a49e1-5
0.368
VLA-UNK-411a133b-2
0.368
MIC-UNK-42806bd5-2
0.368
ALP-POS-90e38439-3
0.368
MIC-UNK-fc94cdb5-1
0.368
MIC-UNK-4c7b8ba7-1
0.366
MAT-POS-bfb445d4-2
0.365
JAN-GHE-5a013bed-9
0.364
ALP-POS-cd485364-1
0.364
JAN-GHE-5a013bed-6
0.364
PET-UNK-158bee2a-2
0.364
ALP-POS-cd485364-2
0.362
PET-UNK-f92d7c0c-9
0.362
NAU-LAT-e1818702-7
0.362
JAG-UCB-a3ef7265-17
0.362
VLA-UNK-dc1d9354-1
0.360
BEN-DND-1e24cf73-1
0.360
NAU-LAT-a5c7d7cb-13
0.360
ALP-POS-90e38439-1
0.360
VLA-UCB-1dbca3b4-1
0.360
JIN-POS-6dc588a4-9
0.360
RUB-POS-1325a9ea-23
0.360
ALP-POS-79636100-3
0.358
EDG-MED-0da5ad92-12
0.357
EDG-MED-0da5ad92-14
0.357
PET-UNK-f92d7c0c-1
0.357
EDJ-MED-49816e9b-3
0.357
PET-UNK-f92d7c0c-6
0.357
NAU-LAT-e1818702-1
0.356
JAN-GHE-f4ca5a00-12
0.356
DAN-LON-a5fc619e-10
0.355
BEN-DND-02317c5c-9
0.355
NAU-LAT-e1818702-9
0.355
EDJ-MED-50fe53e8-4
0.355
BEN-DND-1e24cf73-5
0.354
MAT-POS-53907a1c-1
0.354
MAT-POS-0c8fa4a7-2
0.354
BEN-DND-1e24cf73-2
0.354
EDG-MED-0da5ad92-2
0.353
MIC-UNK-66895286-1
0.353
JAN-GHE-5a013bed-8
0.353
PET-UNK-158bee2a-4
0.353
PET-UNK-f92d7c0c-3
0.352
MAT-POS-0bc33984-2
0.352
EDG-MED-0da5ad92-15
0.352
RUB-POS-1325a9ea-16
0.351
ALP-POS-8b8a49e1-6
0.351
JOH-UNI-6fede743-1
0.351
JAN-GHE-5a013bed-3
0.351
JOH-UNI-0e1753c1-2
0.348
JAN-GHE-5a013bed-10
0.348
ALP-POS-8b8a49e1-8
0.347
BEN-DND-02317c5c-8
0.347
PET-UNK-e44ffd04-1
0.347