Molecular Properties | |
SMILES: | CN1CCc2ccc3cncc(c3c2)NC(=O)C2CN(CC1=O)Cc1ccccc12 |
MW: | 400.19 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 0 |
TPSA: | 65.54 |
cLogP: | 2.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-UNK-2f7e45db-1
0.846
MAT-UNK-12b5acf5-1
0.680
MAT-UNK-1d9ee2ed-1
0.598
MAT-UNK-88dc5cbd-1
0.557
MAT-UNK-673d6610-1
0.539
MAT-UNK-0990acaa-1
0.537
MAT-UNK-6917668e-1
0.483
MAT-UNK-1889d436-1
0.478
MAT-UNK-38d3ea22-1
0.379
MAT-UNK-ff8c4e54-1
0.365
RAM-THI-7078c165-1
0.285
BEN-DND-fa51d92c-22
0.273
EDJ-MED-54fbebd8-1
0.270
BEN-DND-fa51d92c-21
0.266
YVE-CNR-132fc2df-1
0.264
EDJ-MED-139368ae-5
0.264
MAT-POS-a9372f04-1
0.262
EDJ-MED-54fbebd8-2
0.262
VLA-UNK-70dd90ef-3
0.260
LUO-POS-ed2cfb03-2
0.260
BEN-DND-fa51d92c-10
0.259
BEN-DND-fa51d92c-24
0.258
RAM-THI-7078c165-2
0.258
BEN-DND-fa51d92c-9
0.257
DAR-DIA-6be260fc-2
0.256
EDJ-MED-54fbebd8-4
0.256
ALP-POS-ecbed2ba-10
0.255
MIK-ENA-be04d1d4-1
0.255
MIK-ENA-e143773d-1
0.255
MIK-ENA-edcfce18-1
0.255
MIK-ENA-0547b12c-1
0.255
MAT-POS-50a80394-2
0.255
DAR-DIA-6be260fc-3
0.254
BEN-DND-fa51d92c-23
0.254
EDJ-MED-139368ae-2
0.252
EDJ-MED-139368ae-3
0.252
BEN-DND-fa51d92c-17
0.252
EDJ-MED-28cccd0c-3
0.252
BEN-DND-fa51d92c-7
0.250
BEN-DND-fa51d92c-18
0.250
EDJ-MED-54fbebd8-5
0.250
EDJ-MED-54fbebd8-3
0.248
MIK-ENA-99706bb8-1
0.246
MIK-ENA-17e27e9c-1
0.246
MIK-ENA-623fe2a6-1
0.246
MIK-ENA-2c0ad173-1
0.246
MAT-POS-50a80394-1
0.246
JAG-UCB-f37eaa14-2
0.246
DAR-DIA-6be260fc-1
0.246
ALP-POS-ecbed2ba-9
0.245
JOH-MSK-51c67e7d-1
0.244
JOH-MSK-51c67e7d-2
0.244
MAR-UCB-6ab2ec87-6
0.244
VLA-UNK-70dd90ef-2
0.244
IND-SYN-6c8299e8-3
0.244
EDJ-MED-cc48ee33-5
0.243
BEN-DND-fa51d92c-20
0.243
EDJ-MED-139368ae-1
0.242
DAR-DIA-6be260fc-5
0.242
VLA-UNK-c65c1026-3
0.242
VLA-UNK-61877630-9
0.241
EDJ-MED-8bb691af-5
0.241
VLA-UNK-e334495f-3
0.241
EDJ-MED-28cccd0c-2
0.241
ALP-POS-ecbed2ba-21
0.239
VLA-UNK-e334495f-4
0.239
RAI-NOV-a7d52b4a-2
0.239
BEN-DND-fa51d92c-11
0.239
EDJ-MED-cc48ee33-3
0.239
EDJ-MED-8bb691af-3
0.239
EDJ-MED-28cccd0c-4
0.239
EDJ-MED-2791eece-8
0.238
JAR-IMP-ed466bb3-1
0.238
EDJ-MED-b774e9fe-3
0.238
DAR-DIA-6be260fc-4
0.238
MAT-POS-dd3ad2b5-1
0.238
BEN-DND-f2e727cd-6
0.238
MIC-UNK-eb20c3e1-3
0.238
ALP-POS-ecbed2ba-16
0.238
MAT-POS-be048f2c-5
0.238
MAT-POS-be048f2c-7
0.238
MIC-UNK-b9827f26-1
0.238
BEN-DND-fa51d92c-6
0.237
EDJ-MED-cc48ee33-4
0.237
BEN-DND-fa51d92c-12
0.237
VLA-UNK-5d8210f0-5
0.237
MAT-POS-50a80394-5
0.237
EDJ-MED-2791eece-11
0.237
EDJ-MED-7587a9ee-3
0.237
ALP-POS-e0fe77e5-13
0.237
ALP-POS-fe871b40-15
0.236
MAT-POS-c2d406ed-4
0.236
MAT-POS-e75f6e44-16
0.236
VLA-UNK-f2612802-1
0.236
ALP-POS-ecbed2ba-19
0.236
MAT-POS-e75f6e44-2
0.236
EDJ-MED-139368ae-4
0.235
MAT-POS-50a80394-3
0.234
MAT-POS-b3212acf-1
0.234
JOH-MSK-1f2dff76-3
0.234