Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1C1CCN(Cc2cccc(Cl)c2)C1 |
MW: | 329.13 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 45.23 |
cLogP: | 3.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-6
0.787
SAD-SAT-7d5528d9-7
0.517
MAT-POS-bb423b95-4
0.506
ALP-POS-95b75b4d-5
0.506
SAD-SAT-7d5528d9-13
0.462
SAD-SAT-7d5528d9-21
0.451
SAD-SAT-7d5528d9-5
0.419
MED-COV-4280ac29-13
0.412
SAD-SAT-7d5528d9-18
0.402
SAD-SAT-7d5528d9-50
0.400
AVI-UNI-70b60925-1
0.398
SAD-SAT-24589cd1-9
0.396
DAN-LON-a5fc619e-4
0.393
JOH-UNI-23d9e1b1-1
0.390
SAD-SAT-7d5528d9-25
0.385
TRY-UNI-714a760b-6
0.384
ASH-SAT-43770c7d-3
0.384
JOH-UNI-0e1753c1-2
0.383
MAT-POS-bb423b95-5
0.382
EDJ-MED-3c65e9ce-2
0.378
AVI-UNI-c9bf710f-1
0.378
ALP-POS-95b75b4d-10
0.376
SAD-SAT-7d5528d9-24
0.374
MAK-UNK-6ca90168-13
0.373
SAD-SAT-7d5528d9-2
0.371
SAD-SAT-c989feaa-3
0.370
DAN-LON-a5fc619e-10
0.370
SAM-UNK-2684b532-11
0.367
ALP-POS-f13221e1-4
0.367
HYO-UNK-49a60884-1
0.366
JOH-UNI-0e1753c1-3
0.366
MED-COV-4280ac29-15
0.366
AAR-POS-d2a4d1df-35
0.366
DAN-LON-a5fc619e-5
0.362
ALP-POS-95b75b4d-8
0.360
SAM-UNK-2684b532-13
0.360
SAD-SAT-7d5528d9-4
0.360
JOH-UNI-abfda500-5
0.360
JOH-UNI-abfda500-4
0.360
ANN-UNI-98d2bf15-3
0.360
JOH-IMS-1436231f-6
0.359
AAR-POS-0daf6b7e-29
0.359
SAD-SAT-7d5528d9-11
0.358
JOH-UNI-0e1753c1-1
0.356
ALP-POS-95b75b4d-6
0.356
MED-COV-4280ac29-2
0.354
SAD-SAT-7d5528d9-36
0.354
EDG-MED-0da5ad92-6
0.352
SAM-UNK-2684b532-12
0.352
JIN-POS-6dc588a4-4
0.352
JIN-POS-6dc588a4-3
0.352
RUB-POS-1325a9ea-19
0.352
SAD-SAT-7d5528d9-49
0.351
JAN-GHE-83b26c96-8
0.347
SAD-SAT-7d5528d9-15
0.347
DAN-LON-a5fc619e-1
0.344
ALP-POS-df536be7-3
0.343
MAK-UNK-f203cb68-1
0.343
MAK-UNK-6ca90168-23
0.341
JIN-POS-6dc588a4-6
0.340
VLA-UCB-05e51b3f-2
0.340
WIL-UNI-5578df48-30
0.340
NAU-LAT-a5c7d7cb-3
0.340
JOH-IMS-d6628593-2
0.337
MAK-UNK-6ca90168-24
0.337
EDG-MED-0da5ad92-5
0.337
ERI-UCB-9c7ec71b-2
0.337
EDJ-MED-e9694d2b-1
0.337
JOH-UNI-0e1753c1-5
0.333
ALP-POS-95b75b4d-7
0.333
SAD-SAT-24589cd1-10
0.333
DAN-LON-a5fc619e-3
0.333
JAN-GHE-f4ca5a00-14
0.333
JOH-IMS-1436231f-2
0.333
EDJ-MED-239d8ca5-1
0.333
SAD-SAT-7d5528d9-1
0.333
ALP-UNI-8d415491-1
0.330
JOH-UNI-0e1753c1-4
0.330
JAN-GHE-83b26c96-2
0.330
MAT-POS-bb423b95-1
0.330
MAT-POS-bb423b95-9
0.330
JAN-GHE-83b26c96-17
0.330
ADA-UCB-6c2cb422-9
0.327
MAK-UNK-f203cb68-9
0.327
DAN-LON-a5fc619e-7
0.327
ALP-POS-0c2c77e1-1
0.326
MAT-POS-bb423b95-3
0.326
TRY-UNI-714a760b-18
0.326
JAN-GHE-83b26c96-4
0.326
JAN-GHE-83b26c96-5
0.326
TRY-UNI-2eddb1ff-5
0.326
TRY-UNI-2eddb1ff-4
0.326
MIC-UNK-13557a72-1
0.326
SAD-SAT-7d5528d9-42
0.324
MED-COV-4280ac29-3
0.324
SAM-UNK-2684b532-8
0.323
MAK-UNK-f203cb68-2
0.323
MAK-UNK-f203cb68-3
0.323
SAD-SAT-c989feaa-5
0.323
PET-UNK-8df914d1-5
0.323