Molecular Properties | |
SMILES: | CN1CCCc2cccc3cncc(c23)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-4223bc15-23
MAT-UNK-1d9ee2ed-1
0.841
MAT-UNK-673d6610-1
0.753
MAT-UNK-0990acaa-1
0.684
MAT-UNK-2f7e45db-1
0.606
MAT-NA_-7dc3e0f8-1
0.557
MAT-UNK-12b5acf5-1
0.532
JOH-UNI-df8adf26-3
0.325
MAT-UNK-6917668e-1
0.295
JAR-IMP-ed466bb3-1
0.290
MAT-UNK-1889d436-1
0.290
MAT-UNK-38d3ea22-1
0.288
MAT-UNK-ff8c4e54-1
0.286
BEN-DND-fa51d92c-8
0.275
BEN-DND-fa51d92c-15
0.265
BEN-DND-fa51d92c-16
0.258
MIC-UNK-50cce87d-11
0.254
BEN-DND-fa51d92c-2
0.246
MIC-UNK-50cce87d-7
0.240
BEN-DND-fa51d92c-22
0.237
EDJ-MED-139368ae-5
0.237
MIC-UNK-50cce87d-9
0.236
MAK-UNK-9a6be56d-26
0.234
MAK-UNK-9a6be56d-28
0.234
JOH-UNI-df8adf26-2
0.234
EDJ-MED-139368ae-2
0.234
JOH-UNI-df8adf26-1
0.233
EDJ-MED-54fbebd8-1
0.233
VLA-UNK-70dd90ef-3
0.232
MAT-POS-b4d6b7fc-6
0.232
MAT-POS-1d5ab790-2
0.232
BEN-DND-fa51d92c-9
0.232
MIC-UNK-50cce87d-10
0.231
MAT-POS-50a80394-1
0.231
MIK-ENA-99706bb8-1
0.231
MIK-ENA-17e27e9c-1
0.231
MIK-ENA-623fe2a6-1
0.231
MIK-ENA-2c0ad173-1
0.231
RAI-NOV-a7d52b4a-2
0.231
NIR-THE-c331be7a-6
0.230
MAT-POS-c2d406ed-4
0.229
DAR-DIA-6be260fc-2
0.229
JUL-TUD-06b2044f-40
0.229
JAR-IMP-ed466bb3-7
0.229
SAD-SAT-1f400d17-9
0.229
MAT-POS-853c0ffa-17
0.229
MIC-UNK-50cce87d-12
0.228
EDJ-MED-3656d29d-1
0.228
BEN-DND-fa51d92c-23
0.227
JAR-IMP-ed466bb3-3
0.227
JOH-MSK-51c67e7d-2
0.227
JOH-MSK-51c67e7d-1
0.227
DAR-DIA-6be260fc-3
0.227
BEN-DND-f6031113-15
0.226
RAI-NOV-a7d52b4a-1
0.226
VLA-UNK-61877630-9
0.225
VLA-UNK-e334495f-3
0.225
MAT-POS-1d5ab790-1
0.225
MAT-POS-853c0ffa-5
0.225
MAT-POS-853c0ffa-7
0.225
IND-SYN-6c8299e8-3
0.225
EDJ-MED-54fbebd8-2
0.225
BEN-DND-d1eb1f41-12
0.225
EDJ-MED-d1555997-2
0.225
VLA-UNK-5d8210f0-4
0.225
BEN-DND-fa51d92c-7
0.225
BEN-DND-fa51d92c-10
0.225
ERI-UCB-d6de1f3c-7
0.224
JAR-IMP-ed466bb3-4
0.224
VLA-UNK-e334495f-4
0.224
MAT-POS-50a80394-2
0.222
MIC-UNK-eb20c3e1-3
0.222
MIK-ENA-be04d1d4-1
0.222
MIK-ENA-e143773d-1
0.222
MIK-ENA-edcfce18-1
0.222
MIK-ENA-0547b12c-1
0.222
VLA-UNK-5d8210f0-5
0.221
BEN-DND-fa51d92c-6
0.221
BEN-DND-fa51d92c-12
0.221
MAT-POS-81ae2990-1
0.221
DAR-DIA-6be260fc-4
0.221
BEN-DND-fa51d92c-24
0.221
NAU-LAT-a5c7d7cb-5
0.221
MIC-UNK-50cce87d-5
0.221
MAK-UNK-9a6be56d-27
0.221
MIC-UNK-51049f1a-4
0.221
EDJ-MED-0186a59b-4
0.221
BEN-DND-fa51d92c-21
0.220
REN-UFA-aaaed2d6-4
0.220
NIR-THE-c331be7a-1
0.219
MAT-POS-50a80394-3
0.219
MAT-POS-b3212acf-1
0.219
EDJ-MED-c7fc9efa-2
0.219
MAK-UNK-702fb7d3-18
0.219
MAT-POS-e9e99895-13
0.218
DAR-DIA-caba39e3-9
0.218
REN-UFA-aaaed2d6-3
0.217
EDJ-MED-28cccd0c-3
0.217
BEN-DND-f6031113-8
0.217
YVE-CNR-132fc2df-1
0.217
BEN-DND-f6031113-3
0.217