Molecular Properties | |
SMILES: | CNc1cccc(CC(=O)Nc2cnccc2C2CC2)c1 |
MW: | 281.359 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 54.02 |
cLogP: | 3.1819 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
ALP-POS-95b75b4d-5
0.696
MAT-POS-bb423b95-4
0.696
SAD-SAT-24589cd1-9
0.565
SAD-SAT-24589cd1-10
0.500
ALP-POS-95b75b4d-4
0.475
EDJ-MED-3c65e9ce-2
0.468
ALP-POS-df536be7-3
0.466
JOH-IMS-d6628593-2
0.446
EDJ-MED-e58735b6-2
0.442
SAD-SAT-7d5528d9-6
0.432
ALP-POS-95b75b4d-2
0.423
JAN-GHE-83b26c96-13
0.423
TRY-UNI-714a760b-6
0.423
DAR-DIA-0cde14eb-1
0.422
BRU-LEF-c49414a7-1
0.420
RAL-THA-901e9a10-7
0.420
ANN-UNI-98d2bf15-2
0.420
JAN-GHE-83b26c96-12
0.418
ALP-POS-95b75b4d-1
0.418
DAR-DIA-0cde14eb-4
0.412
EDJ-MED-e58735b6-1
0.407
ALP-POS-95b75b4d-3
0.402
JAN-GHE-83b26c96-14
0.402
DAR-DIA-0cde14eb-76
0.402
DAR-DIA-0cde14eb-2
0.400
TRY-UNI-714a760b-20
0.398
SAM-UNK-2684b532-13
0.397
ALP-POS-95b75b4d-8
0.397
DAR-DIA-0cde14eb-3
0.395
EDJ-MED-e58735b6-3
0.393
DAR-DIA-0cde14eb-78
0.393
DAR-DIA-0cde14eb-79
0.393
ALP-POS-95b75b4d-6
0.392
ALP-POS-d054b76b-7
0.392
ANN-UNI-98d2bf15-5
0.388
EDJ-MED-e58735b6-4
0.386
RUB-POS-1325a9ea-19
0.386
ALP-POS-95b75b4d-9
0.386
JIN-POS-6dc588a4-3
0.386
MAT-POS-bb423b95-5
0.386
DAR-DIA-0cde14eb-14
0.382
ALP-POS-95b75b4d-7
0.381
IND-SYN-2c708b29-3
0.380
SAD-SAT-24589cd1-1
0.379
SAD-SAT-24589cd1-3
0.379
DAR-DIA-0cde14eb-77
0.379
JOH-UNI-abfda500-4
0.378
JOH-UNI-abfda500-5
0.378
ANN-UNI-98d2bf15-3
0.378
SAD-SAT-7d5528d9-1
0.378
SAD-SAT-7d5528d9-35
0.376
JOH-UNI-61f30276-4
0.375
SAD-SAT-7d5528d9-25
0.374
MAK-UNK-6ca90168-23
0.373
JIN-POS-6dc588a4-6
0.372
SAD-SAT-24589cd1-5
0.369
JIN-POS-6dc588a4-4
0.369
SAM-UNK-2684b532-11
0.369
SAM-UNK-2684b532-12
0.369
TRY-UNI-714a760b-5
0.364
JOH-UNI-abfda500-7
0.360
ALP-UNI-8d415491-1
0.359
RAL-THA-901e9a10-8
0.358
MAT-POS-bb423b95-3
0.356
SAD-SAT-24589cd1-8
0.356
ALP-POS-0c2c77e1-1
0.356
ERI-UCB-9c7ec71b-2
0.351
EDJ-MED-e9694d2b-1
0.351
RAL-THA-901e9a10-1
0.351
SAD-SAT-24589cd1-6
0.351
MAK-UNK-748f8b7a-9
0.349
MAT-POS-e501d84c-1
0.348
MAT-POS-044491d2-1
0.347
JAN-GHE-83b26c96-11
0.346
MAT-POS-bb423b95-1
0.345
MAT-POS-bb423b95-9
0.345
RAL-THA-6b94ceba-6
0.345
MAK-UNK-c749d764-13
0.341
EDJ-MED-a364e151-3
0.341
MIC-UNK-f2576da4-1
0.341
WIL-MOD-03b86a88-6
0.341
MAT-POS-044491d2-2
0.340
EDG-MED-0da5ad92-2
0.338
PET-UNK-8df914d1-3
0.337
ALP-POS-f13221e1-4
0.337
MIC-UNK-d935700b-2
0.337
RUB-POS-1325a9ea-5
0.337
RAL-THA-6b94ceba-7
0.337
MAT-POS-f7918075-5
0.337
VLA-UCB-00f2c2b3-2
0.337
WIL-MOD-03b86a88-2
0.337
MAK-UNK-748f8b7a-6
0.337
WIL-UNI-5578df48-28
0.333
RAL-THA-2d450e86-11
0.333
RAL-THA-901e9a10-4
0.333
RAL-THA-901e9a10-6
0.333
RAL-THA-901e9a10-5
0.333
JAN-GHE-5a013bed-10
0.333
MAT-POS-044491d2-3
0.333
BAR-COM-0f94fc3d-49
0.333