Molecular Properties | |
SMILES: | O=C1N=Cc2c(Cl)cc(Oc3cccc4[nH]ccc34)cc21 |
MW: | 296.04 |
Fraction sp3: | 0.0 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 54.45 |
cLogP: | 4.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
RYA-MOD-343ecd80-7
0.487
GIA-UNK-b9c616ea-3
0.353
RYA-MOD-343ecd80-2
0.290
JOH-UNI-6fc75a7c-2
0.272
NAU-LAT-356bd3c2-1
0.269
ALP-POS-c59291d4-5
0.269
GIA-UNK-b9c616ea-7
0.267
JOH-UNI-f0df842c-1
0.265
GIA-UNK-b9c616ea-2
0.264
RYA-MOD-343ecd80-1
0.264
JOH-UNI-f0df842c-4
0.258
JOH-UNI-7a6e29a5-1
0.258
JOH-UNI-0304dea8-4
0.258
GIA-UNK-b9c616ea-4
0.258
JOH-UNI-7a6e29a5-2
0.255
JOH-UNI-7a6e29a5-4
0.255
JOH-UNI-0304dea8-2
0.253
GIA-UNK-b9c616ea-6
0.253
RYA-MOD-343ecd80-3
0.250
NAU-LAT-356bd3c2-2
0.247
NAU-LAT-356bd3c2-7
0.245
JOH-UNI-7a6e29a5-5
0.245
JOH-UNI-6fc75a7c-5
0.245
NAU-LAT-356bd3c2-3
0.242
RYA-MOD-343ecd80-4
0.240
JOH-UNI-0304dea8-3
0.240
JON-UIO-56032f80-3
0.240
JOH-UNI-0304dea8-1
0.237
GIA-UNK-b9c616ea-5
0.237
JOH-UNI-6fc75a7c-4
0.234
JOH-UNI-7a6e29a5-3
0.234
GIA-UNK-b9c616ea-1
0.230
JON-UIO-56032f80-6
0.228
LUK-UNK-17c446f9-1
0.225
JOH-UNI-6fc75a7c-1
0.223
JOH-UNI-6fc75a7c-3
0.221
NAU-LAT-356bd3c2-8
0.218
MAT-POS-ea426761-71
0.214
JIN-POS-6dc588a4-12
0.210
GAB-REV-70cc3ca5-6
0.209
RYA-UNI-da6d17ea-1
0.206
MIC-UNK-221d8b72-1
0.206
MED-UNK-28939ac5-12
0.204
NIM-UNI-310206f0-10
0.202
NIM-UNI-310206f0-62
0.198
ALP-POS-3fc1724e-1
0.198
RYA-UNI-6f4cba40-1
0.198
NIM-UNI-310206f0-52
0.197
RAL-THA-1d44ff04-12
0.195
BAR-COM-4e090d3a-22
0.190
WIL-UNI-d4749f31-18
0.189
RYA-MOD-343ecd80-6
0.189
SER-UNI-985a0e14-2
0.188
NIM-UNI-310206f0-57
0.188
NIM-UNI-310206f0-33
0.187
NIM-UNI-310206f0-47
0.186
JON-UIO-56032f80-7
0.186
NIM-UNI-310206f0-58
0.185
NIM-UNI-310206f0-55
0.185
NIM-UNI-310206f0-39
0.185
NIM-UNI-310206f0-61
0.183
ERI-UCB-ce40166b-19
0.182
JIN-POS-6dc588a4-5
0.182
WIL-UNI-d4749f31-4
0.182
NIM-UNI-310206f0-60
0.182
NIM-UNI-310206f0-50
0.181
RAL-MED-2de63afb-11
0.181
ERI-UCB-ce40166b-20
0.180
RAY-UNI-5365d7e5-1
0.180
EDJ-MED-c8e7a002-11
0.180
NAU-LAT-a5c7d7cb-10
0.180
VLA-UNK-eaa804fd-3
0.179
JOH-UNI-f0df842c-2
0.178
NAU-LAT-356bd3c2-11
0.178
JAG-UCB-52b62a6f-17
0.177
ERI-UCB-ce40166b-7
0.176
MAR-UCB-195bc32d-5
0.175
BAR-COM-4e090d3a-39
0.175
DAR-DIA-8e329c92-10
0.173
ALP-POS-a30bcdb4-1
0.172
MAR-TRE-d0525fbf-44
0.172
NIM-UNI-310206f0-64
0.172
NIM-UNI-310206f0-65
0.172
MAT-POS-8fd29122-1
0.172
VLA-UCB-1dbca3b4-9
0.171
DAR-DIA-1a77c53a-14
0.171
ARI-TAT-5792557e-9
0.170
NAU-LAT-356bd3c2-10
0.170
SID-ELM-8b394441-10
0.170
MAR-TRE-92684b97-32
0.170
WIL-UNI-d4749f31-23
0.170
MAR-TRE-7f7bb9f0-70
0.169
RAL-MED-2de63afb-9
0.168
JAN-GHE-5a013bed-4
0.168
LOR-NOR-30067bb9-5
0.168
UNK-UNK-2ede4078-63
0.168
ERI-UCB-ce40166b-15
0.168
MAR-TRE-36bf7dba-21
0.168
MAR-UCB-fd2e172f-31
0.168
ERI-UCB-ce40166b-5
0.168