Molecular Properties | |
SMILES: | CNc1cc(Cl)cc(CN(CCN2CCOCC2)C(=O)Cc2cncc3ccccc23)c1 |
MW: | 452.2 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 8 |
TPSA: | 57.7 |
cLogP: | 3.83 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-6c284e65-1
DAR-DIA-6a49afbe-5
0.722
DAR-DIA-6a49afbe-3
0.596
DAR-DIA-6a49afbe-2
0.515
DAR-DIA-6a49afbe-4
0.438
ALP-POS-75715966-2
0.416
ALP-POS-64a710fa-2
0.413
DAR-DIA-6a49afbe-12
0.409
MIC-UNK-d36ab305-3
0.404
ALP-POS-64a710fa-1
0.400
PET-UNK-8922bd3c-1
0.394
MIC-UNK-d36ab305-6
0.393
MAT-POS-6c284e65-2
0.392
ALP-POS-c3a96089-4
0.392
MAT-POS-173a45da-1
0.391
MAT-POS-6c284e65-1
0.390
ALP-POS-c3a96089-3
0.388
ALP-POS-7c6e02c7-1
0.385
DAR-DIA-6a49afbe-1
0.385
ALP-POS-b3306dea-1
0.385
MAK-UNK-b7886382-3
0.380
NAU-LAT-a5c7d7cb-4
0.379
JOH-UNI-ea1df7a8-1
0.377
ALP-POS-7c6e02c7-3
0.377
ALP-POS-7c6e02c7-2
0.368
NAU-LAT-a5c7d7cb-5
0.363
MIC-UNK-a28eba03-2
0.363
MAK-UNK-b7886382-5
0.362
DAR-DIA-6a49afbe-9
0.362
MAK-UNK-b7886382-4
0.358
NIR-THE-590dedc7-1
0.357
MIC-UNK-6ab519a7-1
0.357
MIC-UNK-5a93dd5f-10
0.357
NAU-LAT-a5c7d7cb-2
0.357
ALP-POS-25b4df59-2
0.357
UNK-UNK-2ede4078-90
0.356
JUL-TUD-06b2044f-53
0.354
PET-UNK-1901c25b-1
0.353
LON-WEI-9739a092-8
0.352
MIC-UNK-a28eba03-1
0.352
MED-COV-4280ac29-22
0.351
MAK-UNK-b7886382-2
0.349
ERI-UCB-ce40166b-8
0.347
ALP-POS-c3a96089-1
0.345
ALP-POS-25b4df59-1
0.345
DAR-DIA-5d6f1b43-13
0.344
MIC-UNK-a28eba03-4
0.343
PET-UNK-55f647aa-2
0.342
MAT-POS-6344a35d-1
0.341
ERI-UCB-ce40166b-7
0.341
DAR-DIA-6a508060-1
0.339
ALP-POS-c3a96089-2
0.339
PET-UNK-55f647aa-1
0.339
DAR-DIA-6a49afbe-7
0.336
DAR-DIA-6a49afbe-8
0.336
DAR-DIA-6a49afbe-11
0.336
MIC-UNK-460e637d-1
0.336
DAR-DIA-23aa0b97-19
0.333
DAR-DIA-23aa0b97-20
0.333
ERI-UCB-ce40166b-5
0.333
EDG-MED-90036822-14
0.333
MIC-UNK-a28eba03-3
0.330
JOH-UNI-6e27fddc-9
0.328
LON-WEI-9739a092-4
0.328
JUL-TUD-06b2044f-52
0.328
ERI-UCB-ce40166b-6
0.325
RAL-THA-2d450e86-14
0.324
RAL-THA-2d450e86-15
0.324
NAU-LAT-2fed8305-8
0.324
DAR-DIA-ecdbc7dd-5
0.323
MIC-UNK-5a93dd5f-9
0.323
PET-UNK-bb7ffe78-1
0.321
PET-UNK-1320d94d-23
0.321
PET-UNK-1320d94d-24
0.321
MAK-UNK-b7886382-1
0.320
DAR-DIA-6a49afbe-10
0.320
MIC-UNK-5a93dd5f-8
0.320
MIC-UNK-cdc2493e-24
0.320
JOR-UNI-2fc98d0b-6
0.319
RAL-THA-1d44ff04-3
0.319
JOH-UNI-6e27fddc-8
0.318
MAT-POS-fce787c2-2
0.318
MAT-UCL-e2ab2224-1
0.317
MIC-UNK-460e637d-2
0.317
LON-WEI-9739a092-7
0.317
PET-UNK-1320d94d-3
0.316
PET-UNK-1320d94d-4
0.316
DAR-DIA-ecdbc7dd-10
0.316
VLA-UCB-34f3ed0c-13
0.315
ERI-UCB-ce40166b-1
0.314
RAL-THA-1d44ff04-6
0.314
RAL-THA-1d44ff04-11
0.314
MIC-UNK-16ccb665-3
0.313
PET-UNK-bb7ffe78-3
0.313
EDG-MED-4c68219f-4
0.313
LON-WEI-9739a092-1
0.312
MAT-POS-bb423b95-7
0.312
MIC-UNK-5a93dd5f-6
0.312
ALP-POS-780445ae-2
0.312
NAU-LAT-a5c7d7cb-8
0.310
ADA-UCB-dc2b944c-18
0.310