Molecular Properties | |
SMILES: | COc1ccc(Cl)cc1OCCNC(=O)C1(C)C(=O)Nc2cccc(OC)c21 |
MW: | 404.11 |
Fraction sp3: | 0.3 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 85.89 |
cLogP: | 2.76 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
beta-keto/anhydride
Long aliphatic chain
Dye 11
MAT-POS-3b536971-1
VLA-UNK-eaa804fd-5
0.760
VLA-UNK-eaa804fd-1
0.500
BEN-DND-b89db3f2-4
0.476
MAT-POS-3b536971-1
0.457
EDJ-MED-edeb0d3a-2
0.457
ALP-POS-05819dc4-1
0.442
MAT-POS-54c4bf04-2
0.417
VLA-UNK-eaa804fd-4
0.400
EDJ-MED-edeb0d3a-3
0.366
EDJ-MED-edeb0d3a-1
0.353
BEN-DND-b89db3f2-5
0.353
EDJ-MED-bbe8e3da-3
0.340
MAT-POS-590ac91e-42
0.333
VLA-UNK-eaa804fd-3
0.320
MAT-POS-8fd29122-1
0.304
BEN-DND-7e92b6ca-1
0.304
EDJ-MED-6af13d92-2
0.298
MAT-POS-35d3f55a-1
0.294
EDJ-MED-6af13d92-3
0.294
MAT-POS-590ac91e-53
0.293
MAT-POS-35d3f55a-2
0.291
MAT-POS-590ac91e-32
0.286
EDJ-MED-6af13d92-1
0.286
MAT-POS-916a2c5a-2
0.284
MIC-UNK-8373f97b-2
0.283
ALP-POS-3fc1724e-1
0.280
PET-UNK-752bebd6-1
0.278
ALP-POS-fc6c627f-3
0.274
MAT-POS-590ac91e-43
0.271
EDJ-MED-bbe8e3da-4
0.270
MAT-POS-e1b5ac6b-2
0.269
MAT-POS-3b92565d-4
0.269
EDJ-MED-d1cd9639-2
0.269
MAT-POS-590ac91e-47
0.263
DAR-DIA-8e329c92-2
0.262
WIL-UNI-2e73223c-4
0.262
JOH-UNI-abfda500-3
0.262
DAR-DIA-8e329c92-1
0.260
ERI-UCB-ce40166b-25
0.259
DAR-DIA-1a77c53a-2
0.259
EDJ-MED-bbe8e3da-2
0.259
MIC-UNK-10ba69b4-2
0.255
DAR-DIA-1a77c53a-1
0.255
MIC-UNK-8373f97b-1
0.252
DAR-DIA-8e329c92-3
0.252
MAR-UCB-f313ec4d-2
0.252
MAT-POS-3b92565d-10
0.252
MAT-POS-91829f0d-1
0.252
DAR-DIA-1a77c53a-7
0.252
MAT-POS-590ac91e-46
0.252
MAR-TRE-fd17a9b8-94
0.250
DAR-DIA-1a77c53a-24
0.248
DAR-DIA-1a77c53a-8
0.248
MIC-UNK-b9827f26-4
0.248
MAR-TRE-6c5ef77a-77
0.247
EDJ-MED-bbe8e3da-1
0.246
EDJ-MED-d1cd9639-1
0.245
MIC-UNK-8373f97b-3
0.245
DAR-DIA-1a77c53a-15
0.244
DAR-DIA-1a77c53a-21
0.244
DAR-DIA-1a77c53a-14
0.244
MAT-POS-3b92565d-7
0.243
DAR-DIA-1a77c53a-5
0.240
DAR-DIA-1a77c53a-6
0.240
DAR-DIA-1a77c53a-17
0.240
DAR-DIA-1a77c53a-9
0.239
ADA-UCB-6c2cb422-8
0.239
JAR-KUA-8c13982c-20
0.238
MIC-UNK-67d4a29a-4
0.238
DAR-DIA-1a77c53a-4
0.238
DAR-DIA-1a77c53a-3
0.238
DAR-DIA-1a77c53a-19
0.238
MAR-UCB-f313ec4d-1
0.236
DAR-DIA-1a77c53a-18
0.235
DAR-DIA-1a77c53a-20
0.235
MAT-UCB-70f7c0f7-1
0.235
MAT-POS-590ac91e-39
0.234
AAR-POS-0daf6b7e-4
0.234
NAU-LAT-a5c7d7cb-7
0.234
MAR-TRE-66ac689e-35
0.232
MAT-POS-0bc33984-2
0.232
DAR-DIA-1a77c53a-23
0.231
MAR-TRE-92684b97-32
0.231
MAR-TRE-f5c2d31c-94
0.231
UNK-UNK-2ede4078-33
0.231
NAU-LAT-a5c7d7cb-13
0.230
ALP-POS-90e38439-1
0.230
VLA-UCB-1dbca3b4-1
0.230
RUB-POS-1325a9ea-23
0.230
MIC-UNK-10ba69b4-3
0.229
EDJ-MED-9e38fd34-2
0.229
EDJ-MED-9e38fd34-1
0.229
EDJ-MED-9e38fd34-3
0.229
MAT-POS-590ac91e-54
0.229
VIJ-CYC-1a381570-4
0.228
MAT-POS-590ac91e-37
0.227
MAT-POS-3b536971-2
0.227
JAN-GHE-5a013bed-5
0.227
DAR-DIA-1a77c53a-22
0.227
DAR-DIA-1a77c53a-16
0.227