Molecular Properties | |
SMILES: | Cc1ccncc1CCc1cccc(CN2CCOCC2)c1 |
MW: | 296.19 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 25.36 |
cLogP: | 3.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAK-UNK-6435e6c2-8
SAD-SAT-7d5528d9-8
0.635
SAD-SAT-7d5528d9-1
0.537
JOH-ILL-da934517-3
0.474
SAD-SAT-7d5528d9-3
0.459
SAD-SAT-7d5528d9-2
0.459
SAD-SAT-7d5528d9-19
0.423
JOH-ILL-da934517-1
0.417
SAD-SAT-7d5528d9-31
0.414
SAD-SAT-7d5528d9-18
0.412
MAK-UNK-987948f6-12
0.409
AAR-POS-0daf6b7e-29
0.406
JOH-IMS-1436231f-6
0.406
SAD-SAT-7d5528d9-22
0.388
MAK-UNK-987948f6-10
0.385
SAD-SAT-7d5528d9-14
0.378
JAR-KUA-672ec752-7
0.375
MAK-UNK-987948f6-11
0.364
SAD-SAT-7d5528d9-9
0.360
WIL-LEE-23e8b574-3
0.341
JAN-GHE-1d98ec1c-2
0.341
SAD-SAT-7d5528d9-17
0.337
JOH-ILL-da934517-4
0.333
SAD-SAT-7d5528d9-13
0.333
MAK-UNK-849bee6c-9
0.333
BEN-DND-93268d01-10
0.333
JAN-GHE-d851b096-6
0.329
SAD-SAT-7d5528d9-7
0.326
MAK-UNK-849bee6c-8
0.316
JOH-ILL-da934517-2
0.315
SAD-SAT-24589cd1-6
0.313
SAD-SAT-135344c3-9
0.302
TAM-UNI-d1c3dd9f-12
0.301
SAD-SAT-7d5528d9-6
0.289
STE-UNK-dfade101-2
0.286
EDJ-MED-e58735b6-2
0.279
DAR-DIA-53551c05-4
0.279
EDJ-MED-49816e9b-1
0.279
SAD-SAT-7d5528d9-12
0.278
NAU-LAT-3f5f3993-3
0.277
ALP-POS-75715966-4
0.276
BAR-COM-0f94fc3d-33
0.276
JOO-PER-74f994a9-1
0.275
JUL-TUD-06b2044f-147
0.274
SAD-SAT-7d5528d9-49
0.271
SAM-UNK-2684b532-8
0.271
JOK-SYG-18591e8f-1
0.271
DAR-DIA-53551c05-3
0.270
AAR-POS-d2a4d1df-24
0.268
ALP-POS-305f6ec3-58
0.268
ALP-POS-f13221e1-4
0.267
SAD-SAT-7d5528d9-28
0.266
SAD-SAT-7d5528d9-15
0.266
DAR-DIA-0cde14eb-4
0.266
ALP-POS-95b75b4d-2
0.264
DAR-DIA-53551c05-1
0.264
NAU-LAT-3f5f3993-8
0.264
BEN-DND-93268d01-6
0.264
MAK-UNK-af83ef51-11
0.262
DAR-DIA-53551c05-2
0.260
JAN-GHE-1d98ec1c-8
0.258
SAD-SAT-7d5528d9-4
0.257
MIH-UNI-3396182e-11
0.257
BAR-COM-0f94fc3d-11
0.255
BAR-COM-4e090d3a-66
0.255
SAD-SAT-b55127ae-4
0.253
ANN-UNI-98d2bf15-2
0.253
DAR-DIA-076fb6ea-2
0.253
SAM-UNK-2684b532-9
0.253
BAR-COM-ebf5acce-13
0.252
PET-SGC-276eba5a-1
0.252
TRY-UNI-714a760b-6
0.250
AHN-SAT-02ef6d10-10
0.250
MAK-UNK-6ca90168-13
0.250
PAT-UNK-b2d83456-1
0.250
JAN-GHE-83b26c96-13
0.250
TRY-UNI-714a760b-20
0.250
GAB-REV-70cc3ca5-11
0.250
EDG-MED-0da5ad92-6
0.250
VLA-UCB-05e51b3f-3
0.248
JOR-UNI-61e7b1d5-3
0.248
BAR-COM-ebf5acce-11
0.248
ALP-POS-95b75b4d-12
0.247
DAR-DIA-0cde14eb-79
0.247
BEN-DND-6de5dfa0-27
0.247
ALP-POS-95b75b4d-1
0.247
JAN-GHE-83b26c96-12
0.247
AGN-NEW-c197b967-2
0.246
TRY-UNI-9f475305-1
0.245
SAD-SAT-7d5528d9-35
0.245
JOR-UNI-2fc98d0b-1
0.245
JAN-GHE-d851b096-1
0.245
DAR-DIA-0cde14eb-1
0.245
DAR-DIA-0cde14eb-64
0.245
ALP-POS-95b75b4d-4
0.245
EDG-MED-0da5ad92-1
0.244
JAN-GHE-83b26c96-15
0.244
BEN-DND-93268d01-9
0.244
BEN-DND-09b88bf4-5
0.244
LON-WEI-adc59df6-25
0.243
JOR-UNI-61e7b1d5-16
0.243