Molecular Properties | |
SMILES: | CN1CCOc2ccc3cncc(c3c2)NC(=O)C2CN(CC1=O)Cc1ccccc12 |
MW: | 416.18 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 0 |
TPSA: | 74.77 |
cLogP: | 2.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-4223bc15-23
MAT-NA_-7dc3e0f8-1
0.680
MAT-UNK-2f7e45db-1
0.667
MAT-UNK-0990acaa-1
0.615
MAT-UNK-673d6610-1
0.544
MAT-UNK-1d9ee2ed-1
0.542
MAT-UNK-88dc5cbd-1
0.532
MAT-UNK-38d3ea22-1
0.531
MAT-UNK-ff8c4e54-1
0.513
RAM-THI-7078c165-1
0.408
RAM-THI-7078c165-2
0.388
MAT-UNK-6917668e-1
0.381
MAT-UNK-1889d436-1
0.376
BEN-DND-fa51d92c-9
0.263
EDJ-MED-139368ae-5
0.260
BEN-DND-fa51d92c-22
0.260
EDJ-MED-139368ae-1
0.258
EDJ-MED-54fbebd8-1
0.256
BEN-DND-fa51d92c-10
0.255
BEN-DND-fa51d92c-18
0.255
MAT-POS-dd3ad2b5-1
0.254
BEN-DND-f2e727cd-6
0.254
BEN-DND-fa51d92c-21
0.252
YVE-CNR-132fc2df-1
0.250
BEN-DND-fa51d92c-17
0.248
EDJ-MED-139368ae-3
0.248
EDJ-MED-54fbebd8-2
0.248
EDJ-MED-139368ae-2
0.248
VLA-UNK-70dd90ef-3
0.246
BEN-DND-fa51d92c-24
0.244
VLA-UNK-58704097-1
0.244
JAR-IMP-ed466bb3-7
0.244
BEN-DND-fa51d92c-12
0.243
EDJ-MED-54fbebd8-4
0.242
BEN-DND-fa51d92c-23
0.241
MIC-UNK-460e637d-2
0.240
VLA-UNK-70dd90ef-2
0.240
EDG-MED-90036822-83
0.239
EDJ-MED-28cccd0c-3
0.239
VLA-UNK-ba665ac8-2
0.239
VLA-UNK-3a43cd95-4
0.238
MAT-POS-a9372f04-1
0.238
VLA-UCB-05e51b3f-7
0.238
EDG-MED-90036822-74
0.238
EDG-MED-90036822-75
0.238
VLA-UCB-50c39ae8-4
0.238
EDJ-MED-54fbebd8-5
0.237
LUO-POS-ed2cfb03-2
0.237
VLA-UNK-70dd90ef-1
0.236
BEN-DND-a02b439d-15
0.236
BEN-DND-34fc7f90-8
0.236
BEN-DND-fa51d92c-11
0.236
VLA-UNK-3a43cd95-3
0.235
EDJ-MED-54fbebd8-3
0.235
JAR-IMP-ed466bb3-1
0.235
MIC-UNK-eb20c3e1-3
0.234
MIK-ENA-99706bb8-1
0.234
MIK-ENA-17e27e9c-1
0.234
MIK-ENA-623fe2a6-1
0.234
MIK-ENA-2c0ad173-1
0.234
MIK-ENA-be04d1d4-1
0.234
MIK-ENA-e143773d-1
0.234
MIK-ENA-edcfce18-1
0.234
KAD-UNI-877d7bed-8
0.234
KAD-UNI-877d7bed-12
0.234
MIK-ENA-0547b12c-1
0.234
MAT-POS-50a80394-1
0.234
MAT-POS-50a80394-2
0.234
BEN-BAS-c2bc0d80-5
0.234
ALP-POS-ecbed2ba-10
0.234
VLA-UNK-ba665ac8-1
0.233
DAR-DIA-6be260fc-2
0.233
BEN-DND-d1eb1f41-13
0.233
MAT-POS-4223bc15-2
0.233
MAT-POS-e75f6e44-16
0.233
EDJ-MED-4cb9dd84-3
0.232
ALP-POS-67d5babe-1
0.232
DAR-DIA-caba39e3-9
0.232
MAT-POS-de59a476-3
0.232
FRA-DIA-b66f7109-3
0.232
RAI-NOV-2f6a9876-6
0.231
MAT-POS-e9e99895-13
0.231
EDJ-MED-139368ae-4
0.231
ALP-POS-477dc5b7-4
0.231
MIC-UNK-b9827f26-4
0.231
DAR-DIA-6be260fc-3
0.231
EDJ-MED-159244ea-1
0.231
MAT-POS-983b399a-1
0.231
JOH-MSK-51c67e7d-2
0.231
JOH-MSK-51c67e7d-1
0.231
DAR-DIA-d8bd013f-6
0.230
DAR-DIA-d8bd013f-5
0.230
MAR-UCB-6ab2ec87-6
0.230
CHO-MSK-5891c1ff-3
0.229
VLA-UCB-50c39ae8-2
0.229
VLA-UCB-05e51b3f-5
0.229
BEN-BAS-c2bc0d80-6
0.229
MAT-POS-94643566-1
0.229
JAG-UCB-f37eaa14-1
0.229
EDG-MED-ba1ac7b9-27
0.229
EDJ-MED-28cccd0c-1
0.229