Molecular Properties | |
SMILES: | O=C(Cc1cccc(C2(Cl)CC2)c1)Nc1cncc2c1CCCC2 |
MW: | 340.13 |
Fraction sp3: | 0.4 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 41.99 |
cLogP: | 4.37 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
tertiary_halide_sulfate
Filter6_benzyl_halide
Alkyl Halide
DAR-DIA-0cde14eb-33
0.750
DAR-DIA-0cde14eb-31
0.750
DAR-DIA-0cde14eb-34
0.740
DAR-DIA-0cde14eb-45
0.713
EDJ-MED-a364e151-1
0.693
MAT-POS-199e2e7c-1
0.595
DAR-DIA-0cde14eb-36
0.583
DAR-DIA-0cde14eb-3
0.568
DAR-DIA-0cde14eb-41
0.557
DAR-DIA-0cde14eb-47
0.535
ALP-POS-df536be7-2
0.468
DAR-DIA-0cde14eb-35
0.462
DAR-DIA-0cde14eb-37
0.462
ALP-POS-bb8a3193-2
0.451
DAR-DIA-0cde14eb-40
0.447
DAR-DIA-0cde14eb-38
0.446
DAR-DIA-0cde14eb-42
0.442
DAR-DIA-0cde14eb-39
0.436
ALP-POS-bb8a3193-1
0.434
DAR-DIA-0cde14eb-44
0.427
DAR-DIA-0cde14eb-43
0.414
MAT-POS-14ad9fe9-1
0.409
JIN-POS-6dc588a4-20
0.409
EDJ-MED-976da9a6-2
0.409
DAR-DIA-0cde14eb-1
0.404
ALP-POS-bb8a3193-3
0.404
ALP-POS-5fe48310-1
0.402
MIK-ENA-5d9157e9-5
0.402
MIK-ENA-5d9157e9-6
0.402
DAR-DIA-0cde14eb-2
0.400
DAR-DIA-0cde14eb-4
0.396
RUB-POS-1325a9ea-1
0.391
MAT-POS-f7918075-7
0.391
ALP-POS-e6e0c683-1
0.388
DAR-DIA-0cde14eb-14
0.383
DAR-DIA-0cde14eb-46
0.379
DAR-DIA-0cde14eb-48
0.379
EDJ-MED-976da9a6-1
0.379
ALP-POS-4483ae88-4
0.379
MIK-UNK-78dbf1b8-1
0.379
MIK-UNK-58cd43d0-1
0.379
ALP-POS-93b3621f-2
0.377
DAR-DIA-0cde14eb-49
0.375
ALF-EVA-a24cc7ce-3
0.374
DAR-DIA-0cde14eb-59
0.364
ALP-POS-4483ae88-3
0.357
JAN-GHE-5a013bed-10
0.353
ALP-UNI-8d415491-2
0.353
ALP-POS-e6e0c683-3
0.349
MIC-UNK-51049f1a-6
0.348
ALP-POS-95b75b4d-4
0.344
PET-UNK-8df914d1-3
0.341
MIC-UNK-50cce87d-3
0.340
RUB-POS-1325a9ea-3
0.340
JIN-POS-6dc588a4-12
0.340
ALP-POS-e6e0c683-2
0.340
BAR-COM-0f94fc3d-49
0.337
ALP-POS-95b75b4d-8
0.333
SAM-UNK-2684b532-13
0.333
EDJ-MED-6ab52e52-1
0.333
JOH-UNI-abfda500-4
0.333
MIC-UNK-50cce87d-2
0.333
MIC-UNK-668ac5de-1
0.330
MAT-POS-90fd5f68-38
0.330
PET-UNK-6314f867-3
0.330
MIC-UNK-51049f1a-5
0.330
RUB-POS-1325a9ea-13
0.330
ALP-POS-95b75b4d-6
0.330
RUB-POS-1325a9ea-2
0.326
PET-UNK-b1ef24dc-3
0.326
MIC-UNK-50cce87d-1
0.326
PET-UNK-b1ef24dc-4
0.326
RUB-POS-1325a9ea-19
0.326
JAN-GHE-83b26c96-13
0.326
TRY-UNI-714a760b-6
0.326
JUL-TUD-06b2044f-49
0.323
MIC-UNK-8971c93c-1
0.323
MIC-UNK-7574fcc6-1
0.323
MAT-POS-f7918075-4
0.323
RUB-POS-1325a9ea-9
0.320
MIC-UNK-50cce87d-4
0.320
DAR-DIA-0cde14eb-78
0.319
TRY-UNI-714a760b-3
0.319
JOH-UNI-abfda500-5
0.319
ANN-UNI-98d2bf15-3
0.319
EDJ-MED-c7fc9efa-2
0.318
MAT-POS-90fd5f68-37
0.316
JIN-POS-6dc588a4-13
0.316
PET-UNK-7f7e354d-7
0.316
EDJ-MED-a364e151-3
0.316
DAR-DIA-0cde14eb-6
0.316
PET-UNK-b1ef24dc-2
0.316
EDJ-MED-e58735b6-1
0.315
MAK-UNK-6ca90168-23
0.315
DAR-DIA-0cde14eb-17
0.314
JOH-UNI-ee5ed7c8-3
0.313
JOH-UNI-3fc3434e-3
0.313
MAT-POS-90fd5f68-1
0.313
RUB-POS-1325a9ea-11
0.312
RUB-POS-1325a9ea-5
0.312