Molecular Properties | |
SMILES: | CN1CCCc2ccc3cncc(c3c2)NC(=O)C2CN(CC1=O)Cc1ccccc12 |
MW: | 414.21 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 0 |
TPSA: | 65.54 |
cLogP: | 3.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-4223bc15-2
MAT-NA_-7dc3e0f8-1
0.846
MAT-UNK-12b5acf5-1
0.667
MAT-UNK-88dc5cbd-1
0.606
MAT-UNK-1d9ee2ed-1
0.557
MAT-UNK-673d6610-1
0.529
MAT-UNK-0990acaa-1
0.527
MAT-UNK-6917668e-1
0.513
MAT-UNK-1889d436-1
0.509
MAT-UNK-38d3ea22-1
0.373
MAT-UNK-ff8c4e54-1
0.370
RAM-THI-7078c165-1
0.280
JAR-IMP-ed466bb3-1
0.264
BEN-DND-fa51d92c-9
0.263
YVE-CNR-132fc2df-1
0.260
EDJ-MED-139368ae-5
0.260
BEN-DND-fa51d92c-22
0.260
MAT-POS-a9372f04-1
0.258
EDJ-MED-139368ae-2
0.258
VLA-UNK-70dd90ef-3
0.256
EDJ-MED-54fbebd8-1
0.256
LUO-POS-ed2cfb03-2
0.256
BEN-DND-fa51d92c-10
0.255
RAM-THI-7078c165-2
0.254
DAR-DIA-6be260fc-2
0.252
ALP-POS-e0fe77e5-13
0.252
EDJ-MED-cc48ee33-5
0.248
EDJ-MED-139368ae-3
0.248
DAR-DIA-6be260fc-5
0.248
EDJ-MED-54fbebd8-2
0.248
EDJ-MED-8bb691af-5
0.246
VLA-UNK-61877630-9
0.246
VLA-UNK-e334495f-3
0.246
BEN-DND-fa51d92c-18
0.246
MIC-UNK-b9827f26-3
0.246
BEN-DND-fa51d92c-24
0.244
MIC-UNK-b9827f26-5
0.244
MIC-UNK-b9827f26-1
0.244
MIK-ENA-99706bb8-1
0.243
MIK-ENA-17e27e9c-1
0.243
MIK-ENA-623fe2a6-1
0.243
MIK-ENA-2c0ad173-1
0.243
MIK-ENA-be04d1d4-1
0.243
MIK-ENA-e143773d-1
0.243
MIK-ENA-edcfce18-1
0.243
MIK-ENA-0547b12c-1
0.243
MAT-POS-50a80394-1
0.243
MAT-POS-50a80394-2
0.243
BEN-DND-fa51d92c-12
0.243
ALP-POS-ecbed2ba-10
0.243
EDJ-MED-54fbebd8-4
0.242
BEN-DND-fa51d92c-21
0.242
JAG-UCB-f37eaa14-2
0.242
DAR-DIA-6be260fc-1
0.242
MAT-POS-c2d406ed-4
0.241
BEN-DND-fa51d92c-23
0.241
MIC-UNK-b9827f26-4
0.240
JOH-MSK-51c67e7d-1
0.240
JOH-MSK-51c67e7d-2
0.240
DAR-DIA-6be260fc-3
0.240
VLA-UNK-70dd90ef-2
0.240
MIC-UNK-b9827f26-2
0.240
IND-SYN-6c8299e8-3
0.240
BEN-DND-fa51d92c-17
0.239
EDJ-MED-40e596c8-1
0.239
EDJ-MED-28cccd0c-3
0.239
EDJ-MED-139368ae-1
0.239
VLA-UNK-c65c1026-3
0.238
ERI-UCB-d6de1f3c-7
0.238
BEN-DND-fa51d92c-7
0.237
VLA-UNK-5d8210f0-4
0.237
JAG-UCB-f37eaa14-6
0.237
EDJ-MED-28cccd0c-2
0.237
EDJ-MED-54fbebd8-5
0.237
DAR-DIA-6be260fc-6
0.237
VLA-UNK-e334495f-4
0.236
EDJ-MED-40e596c8-3
0.236
BEN-DND-fa51d92c-11
0.236
EDJ-MED-8bb691af-2
0.236
EDJ-MED-cc48ee33-3
0.236
RAI-NOV-a7d52b4a-2
0.235
MIC-UNK-c85ea37c-1
0.235
EDJ-MED-8bb691af-3
0.235
DAR-DIA-6be260fc-4
0.235
EDJ-MED-54fbebd8-3
0.235
MIC-UNK-eb20c3e1-3
0.234
MAT-POS-be048f2c-7
0.234
EDJ-MED-cc48ee33-4
0.234
VLA-UNK-5d8210f0-5
0.234
VLA-UNK-58704097-1
0.234
ERI-UCB-d6de1f3c-2
0.234
ALP-UNI-58319883-1
0.234
VLA-UNK-ba665ac8-1
0.233
EDJ-MED-7587a9ee-3
0.233
MAT-POS-e75f6e44-16
0.233
REN-UFA-aaaed2d6-3
0.233
ALP-POS-ecbed2ba-9
0.232
VLA-UNK-f2612802-1
0.232
ALP-POS-c3a90b22-7
0.232
MAT-POS-e75f6e44-2
0.232
MAT-POS-e9e99895-13
0.231