Molecular Properties | |
SMILES: | CC(=O)Nc1cnccc1C1CCN(Cc2cccc(Cl)c2)CC1 |
MW: | 343.15 |
Fraction sp3: | 0.37 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 45.23 |
cLogP: | 4.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-35
0.787
SAD-SAT-7d5528d9-7
0.583
MAT-POS-bb423b95-4
0.557
ALP-POS-95b75b4d-5
0.557
SAD-SAT-7d5528d9-21
0.539
SAD-SAT-7d5528d9-13
0.523
SAD-SAT-7d5528d9-24
0.464
SAD-SAT-7d5528d9-18
0.460
SAD-SAT-24589cd1-9
0.448
SAD-SAT-7d5528d9-5
0.444
SAD-SAT-7d5528d9-11
0.443
JOH-UNI-23d9e1b1-1
0.436
ALP-POS-95b75b4d-10
0.432
JOH-UNI-0e1753c1-2
0.429
AAR-POS-0daf6b7e-29
0.425
JOH-IMS-1436231f-6
0.425
SAD-SAT-7d5528d9-2
0.424
EDJ-MED-3c65e9ce-2
0.419
MAK-UNK-6ca90168-13
0.418
AAR-POS-d2a4d1df-35
0.410
MED-COV-4280ac29-15
0.410
HYO-UNK-49a60884-1
0.410
JOH-UNI-0e1753c1-3
0.410
SAD-SAT-7d5528d9-50
0.409
SAD-SAT-7d5528d9-25
0.409
JOH-UNI-0e1753c1-1
0.398
TRY-UNI-714a760b-6
0.393
SAD-SAT-7d5528d9-49
0.387
SAD-SAT-7d5528d9-15
0.385
SAD-SAT-7d5528d9-1
0.383
JOH-IMS-d6628593-2
0.378
AVI-UNI-70b60925-1
0.378
ALP-POS-df536be7-3
0.378
SAM-UNK-2684b532-11
0.375
ALP-POS-f13221e1-4
0.375
MAT-POS-bb423b95-5
0.375
MED-COV-4280ac29-13
0.372
EDJ-MED-e9694d2b-1
0.371
AVI-UNI-c9bf710f-1
0.371
ERI-UCB-9c7ec71b-2
0.371
ALP-POS-95b75b4d-8
0.369
SAM-UNK-2684b532-13
0.369
JOH-UNI-abfda500-4
0.368
SAD-SAT-7d5528d9-4
0.367
ALP-POS-95b75b4d-6
0.365
ALP-UNI-8d415491-1
0.365
SAD-SAT-c989feaa-3
0.363
SAD-SAT-7d5528d9-36
0.361
NAU-LAT-a5c7d7cb-3
0.361
VLA-UCB-05e51b3f-2
0.361
EDG-MED-0da5ad92-6
0.360
SAM-UNK-2684b532-12
0.360
RUB-POS-1325a9ea-19
0.360
JIN-POS-6dc588a4-4
0.360
JIN-POS-6dc588a4-3
0.360
DAN-LON-a5fc619e-4
0.356
SEA-TRI-9e600f3c-1
0.354
ANN-UNI-98d2bf15-3
0.352
JOH-UNI-abfda500-5
0.352
MAK-UNK-6ca90168-23
0.348
JIN-POS-6dc588a4-6
0.348
SAD-SAT-7d5528d9-8
0.347
ASH-SAT-43770c7d-3
0.345
MAK-UNK-6ca90168-24
0.345
EDG-MED-0da5ad92-5
0.344
EDG-MED-0da5ad92-19
0.341
JAN-GHE-f4ca5a00-14
0.341
ALP-POS-95b75b4d-7
0.341
JAN-GHE-83b26c96-8
0.340
SEA-TRI-146a67b6-1
0.340
SAD-SAT-24589cd1-10
0.340
JAN-GHE-83b26c96-15
0.337
EDG-MED-0da5ad92-1
0.337
JAN-GHE-83b26c96-17
0.337
JAN-GHE-83b26c96-10
0.337
JAN-GHE-83b26c96-2
0.337
JOH-UNI-0e1753c1-4
0.337
MAK-UNK-f203cb68-1
0.337
TRY-UNI-714a760b-18
0.333
ALP-POS-0c2c77e1-1
0.333
JAN-GHE-83b26c96-5
0.333
ALP-POS-d054b76b-7
0.333
TRY-UNI-2eddb1ff-5
0.333
DAN-LON-a5fc619e-10
0.333
IND-SYN-2c708b29-3
0.333
JAN-GHE-83b26c96-4
0.333
MAT-POS-bb423b95-3
0.333
TRY-UNI-2eddb1ff-4
0.333
SAD-SAT-7d5528d9-42
0.330
MED-COV-4280ac29-3
0.330
MAK-UNK-f203cb68-2
0.330
MAK-UNK-f203cb68-3
0.330
SAM-UNK-2684b532-8
0.330
JAN-GHE-83b26c96-9
0.330
PET-UNK-8df914d1-5
0.330
PET-UNK-8df914d1-3
0.330
JOR-UNI-2fc98d0b-3
0.327
ERI-UCB-a0b0dbcb-12
0.327
EDJ-MED-239d8ca5-1
0.327
DAN-LON-a5fc619e-3
0.326