Molecular Properties | |
SMILES: | COc1cc(Cl)c(Cl)cc1OCCNC(=O)C1C(=O)Nc2cccc(OC)c21 |
MW: | 424.06 |
Fraction sp3: | 0.26 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 85.89 |
cLogP: | 3.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
beta-keto/anhydride
Dye 11
MAT-POS-3b536971-1
VLA-UNK-eaa804fd-5
0.529
VLA-UNK-eaa804fd-1
0.478
VLA-UNK-eaa804fd-3
0.427
VLA-UNK-eaa804fd-2
0.400
MAT-POS-35d3f55a-1
0.357
BEN-DND-b89db3f2-4
0.330
MAT-POS-8fd29122-1
0.330
MAT-POS-35d3f55a-2
0.327
BEN-DND-7e92b6ca-1
0.315
EDJ-MED-edeb0d3a-2
0.314
MAT-POS-3b536971-1
0.314
PET-UNK-752bebd6-1
0.302
ALP-POS-05819dc4-1
0.302
MAT-POS-590ac91e-42
0.292
MAT-POS-54c4bf04-2
0.292
EDJ-MED-6af13d92-3
0.291
EDJ-MED-bbe8e3da-2
0.291
EDJ-MED-bbe8e3da-3
0.287
EDJ-MED-6af13d92-1
0.283
EDJ-MED-6af13d92-2
0.283
MAT-POS-916a2c5a-2
0.282
ALP-POS-3fc1724e-1
0.278
JUL-TUD-06b2044f-42
0.274
MAT-POS-590ac91e-32
0.271
DAR-DIA-8e329c92-1
0.269
ERI-UCB-ce40166b-25
0.269
MAT-POS-91829f0d-1
0.262
DAR-DIA-8e329c92-3
0.262
MAR-UCB-f313ec4d-2
0.262
WIL-UNI-2e73223c-4
0.260
DAR-DIA-8e329c92-2
0.260
JOH-UNI-abfda500-3
0.260
EDJ-MED-bbe8e3da-4
0.257
EDJ-MED-edeb0d3a-3
0.252
ALP-POS-fc6c627f-3
0.250
MAT-POS-590ac91e-53
0.248
MAT-POS-590ac91e-43
0.245
EDJ-MED-bbe8e3da-1
0.244
JUL-TUD-06b2044f-41
0.241
EDJ-MED-edeb0d3a-1
0.241
BEN-DND-b89db3f2-5
0.241
PET-UNK-b38839dc-1
0.241
MAT-POS-29385cc1-1
0.241
DAR-DIA-9e4459de-23
0.240
DAR-DIA-9e4459de-22
0.238
DAR-DIA-9e4459de-21
0.238
ADA-UCB-6c2cb422-8
0.237
PET-UNK-b38839dc-13
0.235
PET-UNK-7279c968-8
0.235
BEN-DND-7e92b6ca-2
0.234
MAR-UCB-f313ec4d-1
0.234
PET-UNK-b38839dc-2
0.234
PET-UNK-b38839dc-29
0.231
PET-UNK-f9b7ae87-8
0.231
PET-UNK-b38839dc-28
0.231
DAR-DIA-9e4459de-18
0.230
MAT-POS-590ac91e-46
0.230
MAT-POS-590ac91e-47
0.230
JUL-TUD-06b2044f-35
0.229
MAK-UNK-7c9d1431-19
0.229
RUB-POS-1325a9ea-23
0.228
ALP-POS-90e38439-1
0.228
VLA-UCB-1dbca3b4-1
0.228
NAU-LAT-a5c7d7cb-13
0.228
PET-UNK-b38839dc-14
0.227
JOH-MEM-5e386bbd-1
0.227
ADA-UCB-6c2cb422-9
0.226
MAT-POS-590ac91e-37
0.225
LON-WEI-4d77710c-68
0.225
LON-WEI-5e7d1b3e-68
0.225
MAT-POS-ea426761-10
0.225
DAR-DIA-9e4459de-19
0.224
UNK-UNK-2ede4078-28
0.224
MAR-TRE-4b834d9a-58
0.224
BAR-COM-0f94fc3d-3
0.224
ADA-UCB-6c2cb422-10
0.223
MAT-UCB-70f7c0f7-1
0.222
JUL-TUD-06b2044f-59
0.221
ERI-UCB-ce40166b-13
0.220
JOH-MSK-ec639444-1
0.220
DAR-DIA-9e4459de-17
0.219
ERI-UCB-ce40166b-14
0.218
EDJ-MED-4f704dc9-2
0.218
JAN-GHE-76def03c-1
0.218
MAR-TRE-fd17a9b8-2
0.218
MAR-TRE-a9136c7b-70
0.218
WIL-UNI-1faa9b10-1
0.217
MAR-TRE-92684b97-32
0.217
MAT-POS-c20a539d-2
0.217
MAR-TRE-d0525fbf-70
0.217
MAR-TRE-aca67d11-4
0.216
UNK-UNK-2ede4078-47
0.216
MAR-TRE-7f7bb9f0-48
0.216
MAR-TRE-2fd8122f-74
0.216
DAR-DIA-9e4459de-20
0.215
DAR-DIA-9e4459de-24
0.214
DAR-DIA-1a77c53a-2
0.214
NAU-LAT-0543f7f2-9
0.214
MAR-TRE-799db12b-87
0.214
MAR-TRE-0fda4e82-16
0.214