Molecular Properties | |
SMILES: | O=C(O)c1ccc(O)c(C(Cc2cccc(Cl)c2)c2ccc(OC3CCOC3)c(Cl)c2)c1 |
MW: | 472.08 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 75.99 |
cLogP: | 5.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-1
PET-UNK-f92d7c0c-4
0.330
PET-UNK-f92d7c0c-5
0.330
PET-UNK-f92d7c0c-6
0.307
PET-UNK-f92d7c0c-1
0.307
PET-UNK-f92d7c0c-3
0.291
ALP-POS-a3de0cb1-12
0.267
PET-UNK-f92d7c0c-7
0.259
MIC-UNK-13557a72-1
0.257
ALP-POS-8b8a49e1-7
0.255
ALP-POS-8b8a49e1-8
0.252
NAM-UNK-f7c77a48-4
0.248
ALP-POS-8ed8d9ec-15
0.244
BAR-COM-4e090d3a-50
0.242
NIC-BIO-7d400292-3
0.241
MAT-POS-90fd5f68-38
0.241
ALP-POS-e980f4ea-32
0.241
GIA-UNK-c4371e97-3
0.241
DAR-DIA-3e9bbd81-12
0.241
GIA-UNK-7337c2f3-2
0.241
MED-COV-4280ac29-18
0.239
SAD-SAT-7d5528d9-20
0.239
DAN-LON-a5fc619e-2
0.239
ALP-POS-ced8ea4d-32
0.238
ALP-POS-8b8a49e1-5
0.238
MIC-UNK-42806bd5-2
0.238
ALP-POS-90e38439-3
0.238
AVI-UNI-70b60925-1
0.238
SAD-SAT-7d5528d9-5
0.237
ALP-POS-a3de0cb1-13
0.237
SAD-SAT-c989feaa-10
0.237
MAK-UNK-ec98eaf6-5
0.237
GIA-UNK-20b63697-2
0.236
ALP-POS-8ed8d9ec-3
0.236
MAT-POS-90fd5f68-8
0.236
AAR-POS-d2a4d1df-35
0.235
JOH-UNI-0e1753c1-3
0.235
MED-COV-4280ac29-15
0.235
HYO-UNK-49a60884-1
0.235
TRY-UNI-9f475305-7
0.235
PAU-WEI-b9b69149-1
0.235
MAT-POS-b5746674-69
0.234
JOH-UNI-0e1753c1-1
0.234
TRY-UNI-9f475305-8
0.233
MED-COV-4280ac29-6
0.233
JOH-IMS-1436231f-1
0.233
DAN-LON-a5fc619e-4
0.232
RUB-POS-1325a9ea-24
0.232
MED-COV-4280ac29-17
0.232
DAN-LON-a5fc619e-8
0.231
AVI-UNI-c9bf710f-1
0.231
JOH-UNI-23d9e1b1-1
0.231
DAN-LON-a5fc619e-7
0.231
RUB-POS-1325a9ea-20
0.230
ROB-UNI-daaf9793-4
0.230
MAT-POS-bb423b95-4
0.230
PET-UNK-f92d7c0c-8
0.230
ALP-POS-95b75b4d-5
0.230
PET-UNK-f92d7c0c-2
0.230
BRU-THA-92256091-84
0.230
MED-COV-4280ac29-13
0.229
ALP-POS-90e38439-2
0.229
MIC-UNK-42806bd5-1
0.229
MAT-POS-500ca5bf-2
0.229
SAD-SAT-c989feaa-3
0.228
MAT-POS-0bc33984-1
0.227
AAR-UNI-c25c2f1e-78
0.227
DAN-LON-a5fc619e-1
0.227
MAK-UNK-6ca90168-15
0.225
NAU-LAT-e1818702-1
0.225
JAN-GHE-f4ca5a00-12
0.225
SAD-SAT-7d5528d9-50
0.225
AAR-POS-0daf6b7e-29
0.224
JOH-IMS-1436231f-6
0.224
JOH-UNI-0e1753c1-5
0.224
DAN-LON-a5fc619e-3
0.224
SEA-TRI-fac72a44-1
0.224
JOH-UNI-0e1753c1-2
0.223
MED-COV-4280ac29-7
0.223
MIC-UNK-b12b7f76-2
0.223
PAU-WEI-b9b69149-2
0.223
WIL-LEE-1f71e281-4
0.222
DAN-LON-a5fc619e-6
0.222
BAR-COM-ebf5acce-11
0.222
JOH-UNI-0e1753c1-4
0.222
DAR-DIA-1a77c53a-5
0.221
DAR-DIA-1a77c53a-6
0.221
SAD-SAT-29425be4-7
0.221
EDJ-MED-239d8ca5-2
0.221
NIC-BIO-a68395b7-4
0.221
VLA-UCB-00f2c2b3-7
0.221
MED-COV-4280ac29-2
0.220
MAT-POS-90fd5f68-37
0.220
SAD-SAT-7d5528d9-21
0.220
MAT-POS-590ac91e-54
0.220
MAR-TRE-b77b7921-8
0.220
ROB-CAM-6936528f-1
0.219
MAK-UNK-6ca90168-13
0.219
MAK-UNK-5d2caa6f-2
0.219
SAD-SAT-7d5528d9-54
0.218
MIC-UNK-4c7b8ba7-1
0.218