Molecular Properties | |
SMILES: | CN1Cc2cccc3cncc(c23)NC(=O)C2CN(CC1=O)Cc1ccccc12 |
MW: | 386.17 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 0 |
TPSA: | 65.54 |
cLogP: | 2.74 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-4223bc15-23
MAT-UNK-1d9ee2ed-1
0.770
MAT-UNK-88dc5cbd-1
0.753
MAT-UNK-0990acaa-1
0.707
MAT-UNK-12b5acf5-1
0.544
MAT-NA_-7dc3e0f8-1
0.539
MAT-UNK-2f7e45db-1
0.529
BEN-DND-fa51d92c-8
0.303
MAT-UNK-38d3ea22-1
0.296
MAT-UNK-6917668e-1
0.294
BEN-DND-fa51d92c-15
0.293
MAT-UNK-1889d436-1
0.288
BEN-DND-fa51d92c-16
0.285
MAT-UNK-ff8c4e54-1
0.283
BEN-DND-fa51d92c-2
0.281
JOH-UNI-df8adf26-3
0.281
BEN-DND-fa51d92c-22
0.262
EDJ-MED-54fbebd8-1
0.258
REN-UFA-aaaed2d6-4
0.257
REN-UFA-aaaed2d6-5
0.255
JAR-IMP-ed466bb3-3
0.255
BEN-DND-fa51d92c-23
0.252
EDJ-MED-54fbebd8-2
0.250
JOH-UNI-df8adf26-2
0.250
MIC-UNK-50cce87d-11
0.250
BEN-DND-fa51d92c-10
0.248
BEN-DND-fa51d92c-7
0.248
RAI-NOV-a7d52b4a-2
0.248
NIR-THE-c331be7a-6
0.248
BEN-DND-fa51d92c-9
0.246
JAR-IMP-ed466bb3-1
0.246
BEN-DND-fa51d92c-24
0.246
MIC-UNK-50cce87d-7
0.246
JAR-IMP-ed466bb3-7
0.245
SAD-SAT-1f400d17-9
0.245
BEN-DND-fa51d92c-6
0.244
BEN-DND-fa51d92c-21
0.244
DAR-DIA-6be260fc-2
0.244
EDJ-MED-139368ae-5
0.242
DAR-DIA-6be260fc-3
0.242
RAI-NOV-a7d52b4a-1
0.241
BEN-DND-f6031113-15
0.240
EDJ-MED-28cccd0c-3
0.240
AAR-POS-0daf6b7e-14
0.240
EDJ-MED-d1555997-2
0.240
EDJ-MED-139368ae-2
0.240
MAK-UNK-702fb7d3-18
0.239
JAR-IMP-ed466bb3-4
0.239
BEN-DND-f6031113-3
0.239
DAR-DIA-caba39e3-2
0.239
BEN-DND-fa51d92c-14
0.238
JOH-UNI-df8adf26-1
0.238
VLA-UNK-70dd90ef-3
0.237
DOU-UNK-b5326f8f-14
0.237
BEN-DND-fa51d92c-11
0.237
NIR-THE-c331be7a-1
0.236
DAR-DIA-caba39e3-1
0.236
DAR-DIA-6be260fc-4
0.236
BEN-DND-fa51d92c-12
0.235
BEN-DND-fa51d92c-13
0.235
MAT-POS-81ae2990-1
0.235
MIC-UNK-51049f1a-4
0.234
EDJ-MED-0186a59b-4
0.234
EDJ-MED-54fbebd8-4
0.234
REN-UFA-aaaed2d6-3
0.234
MAT-POS-c2d406ed-4
0.234
DAR-DIA-caba39e3-9
0.233
JAR-IMP-ed466bb3-14
0.232
REN-UFA-aaaed2d6-6
0.232
MAT-POS-7174c657-3
0.231
NIR-THE-c331be7a-2
0.231
JOH-MSK-51c67e7d-1
0.231
JOH-MSK-51c67e7d-2
0.231
BEN-DND-fa51d92c-4
0.231
BEN-DND-fa51d92c-17
0.231
BEN-DND-fa51d92c-20
0.231
BEN-DND-f6031113-8
0.231
MIC-UNK-50cce87d-9
0.231
PET-UNK-7a31b064-1
0.231
EDJ-MED-139368ae-3
0.230
IND-SYN-6c8299e8-3
0.230
DAR-DIA-caba39e3-7
0.230
DAR-DIA-caba39e3-8
0.230
EDJ-MED-ede277f6-11
0.230
VLA-UNK-c65c1026-3
0.230
JAR-IMP-ed466bb3-13
0.229
REN-UFA-aaaed2d6-2
0.229
BEN-DND-fa51d92c-18
0.229
ERI-UCB-d6de1f3c-7
0.229
TAM-UNI-d1c3dd9f-11
0.228
EDJ-MED-54fbebd8-5
0.228
EDJ-MED-28cccd0c-2
0.228
RAI-NOV-a7d52b4a-3
0.228
BEN-DND-fa51d92c-1
0.228
BEN-DND-fa51d92c-5
0.228
REN-UFA-aaaed2d6-1
0.227
MAT-POS-b4d6b7fc-6
0.227
MAT-POS-1d5ab790-2
0.227
BEN-DND-fa51d92c-19
0.227
EDJ-MED-28cccd0c-4
0.227
BEN-DND-fa51d92c-3
0.226