Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1OCCNC(=O)C1C(=O)Nc2ccccc21 |
MW: | 360.09 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 76.66 |
cLogP: | 2.58 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
beta-keto/anhydride
Dye 11
MAT-POS-3b536971-1
VLA-UNK-eaa804fd-2
0.500
VLA-UNK-eaa804fd-4
0.478
BEN-DND-b89db3f2-4
0.476
ALP-POS-05819dc4-1
0.457
MAT-POS-35d3f55a-1
0.435
MAT-POS-54c4bf04-2
0.432
EDJ-MED-edeb0d3a-2
0.427
MAT-POS-3b536971-1
0.427
VLA-UNK-eaa804fd-5
0.375
EDJ-MED-edeb0d3a-1
0.366
BEN-DND-b89db3f2-5
0.366
EDJ-MED-edeb0d3a-3
0.340
VLA-UCB-1dbca3b4-1
0.337
RUB-POS-1325a9ea-23
0.337
NAU-LAT-a5c7d7cb-13
0.337
ALP-POS-90e38439-1
0.337
MAT-POS-590ac91e-42
0.320
MAT-POS-8fd29122-1
0.319
VLA-UNK-eaa804fd-3
0.308
BEN-DND-7e92b6ca-1
0.304
ROB-UNI-daaf9793-2
0.302
NAU-LAT-a5c7d7cb-14
0.302
EDJ-MED-bbe8e3da-3
0.302
ERI-UCB-ce40166b-25
0.295
MAT-POS-3b92565d-7
0.293
EDJ-MED-6af13d92-2
0.286
EDJ-MED-6af13d92-1
0.286
MAT-POS-916a2c5a-2
0.284
RUB-POS-1325a9ea-24
0.284
MAT-POS-e1b5ac6b-2
0.282
MAT-POS-3b92565d-4
0.282
EDJ-MED-6af13d92-3
0.282
ALP-POS-3fc1724e-1
0.280
MAR-TRE-92684b97-37
0.278
PET-UNK-752bebd6-1
0.278
UNK-UNK-2ede4078-28
0.275
DAR-DIA-8e329c92-1
0.272
MAT-POS-450cb4f9-1
0.269
MAT-POS-35d3f55a-2
0.267
DAR-DIA-8e329c92-3
0.265
ALP-POS-fc6c627f-3
0.263
DAR-DIA-8e329c92-2
0.262
JOH-UNI-abfda500-3
0.262
MAT-POS-bbbbc21a-1
0.262
MAT-POS-3b92565d-1
0.262
RAL-THA-2d450e86-29
0.262
WIL-UNI-2e73223c-4
0.262
NIM-UNI-b87c0f72-1
0.262
NIM-UNI-b87c0f72-2
0.262
MAT-POS-590ac91e-32
0.262
MAT-POS-590ac91e-43
0.259
EDJ-MED-bbe8e3da-2
0.259
MIC-UNK-8373f97b-2
0.257
MIC-UNK-8373f97b-3
0.257
NAU-LAT-a5c7d7cb-7
0.257
EDJ-MED-d1cd9639-1
0.257
JOH-MEM-5e386bbd-1
0.255
VLA-UCB-1dbca3b4-7
0.255
MIC-UNK-10ba69b4-2
0.255
JUL-TUD-06b2044f-42
0.254
MAT-POS-91829f0d-1
0.252
MAR-UCB-f313ec4d-2
0.252
MAT-POS-3b92565d-10
0.252
JAG-UCB-c37fbdcd-1
0.252
MAR-TRE-fd17a9b8-94
0.250
MAT-POS-590ac91e-53
0.250
EDJ-MED-bbe8e3da-4
0.248
DAR-DIA-1a77c53a-2
0.248
DAR-DIA-70d163b2-2
0.248
JIN-POS-6dc588a4-23
0.248
UNK-UNK-2ede4078-39
0.246
MAR-TRE-8a25d817-9
0.245
MAT-POS-29385cc1-1
0.243
PET-UNK-b38839dc-1
0.243
MAR-TRE-92684b97-32
0.243
DAR-DIA-1a77c53a-13
0.242
NAU-LAT-0543f7f2-10
0.242
DAR-DIA-1a77c53a-12
0.242
SEA-TRI-078a8df3-1
0.242
DAR-DIA-1a77c53a-5
0.240
DAR-DIA-1a77c53a-6
0.240
ADA-UCB-6c2cb422-8
0.239
MAR-TRE-3159af1a-25
0.239
LON-WEI-4d77710c-43
0.239
LON-WEI-5e7d1b3e-43
0.239
JAR-KUA-8c13982c-20
0.238
DAR-DIA-1a77c53a-3
0.238
DAR-DIA-1a77c53a-4
0.238
DAR-DIA-1a77c53a-24
0.238
DAR-DIA-1a77c53a-8
0.237
MIC-UNK-b9827f26-4
0.237
NAU-LAT-0543f7f2-9
0.237
NIC-BIO-3276ca7f-6
0.236
MAR-UCB-f313ec4d-1
0.236
DAR-DIA-1a77c53a-11
0.236
DAR-DIA-1a77c53a-10
0.236
RUB-POS-1325a9ea-7
0.235
EDJ-MED-bbe8e3da-1
0.235
ADA-UCB-6c2cb422-10
0.235
MAT-UCB-70f7c0f7-1
0.235