Molecular Properties | |
SMILES: | Clc1cc(Oc2cccc3[nH]ccc23)cc2occc12 |
MW: | 283.04 |
Fraction sp3: | 0.0 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 38.16 |
cLogP: | 5.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
RYA-MOD-343ecd80-8
0.487
GIA-UNK-b9c616ea-3
0.341
JOH-UNI-6fc75a7c-2
0.273
GIA-UNK-b9c616ea-2
0.264
RYA-MOD-343ecd80-1
0.264
JOH-UNI-7a6e29a5-1
0.258
JOH-UNI-7a6e29a5-4
0.256
JOH-UNI-7a6e29a5-2
0.256
NAU-LAT-356bd3c2-1
0.256
ALP-POS-c59291d4-5
0.256
GIA-UNK-b9c616ea-7
0.253
GIA-UNK-b9c616ea-6
0.253
JOH-UNI-f0df842c-1
0.253
JON-UIO-56032f80-6
0.253
RYA-MOD-343ecd80-2
0.250
JOH-UNI-f0df842c-4
0.244
RYA-MOD-343ecd80-4
0.240
JOH-UNI-0304dea8-2
0.239
RYA-MOD-343ecd80-3
0.237
GIA-UNK-b9c616ea-5
0.237
NAU-LAT-356bd3c2-2
0.233
JOH-UNI-7a6e29a5-3
0.233
JOH-UNI-7a6e29a5-5
0.232
JOH-UNI-0304dea8-4
0.231
JOH-UNI-6fc75a7c-5
0.231
GIA-UNK-b9c616ea-4
0.231
NAU-LAT-356bd3c2-3
0.228
JON-UIO-56032f80-3
0.226
JOH-UNI-0304dea8-3
0.226
MAT-POS-ea426761-71
0.224
JOH-UNI-0304dea8-1
0.223
JOH-UNI-6fc75a7c-1
0.222
NAU-LAT-356bd3c2-7
0.219
GIA-UNK-b9c616ea-1
0.216
NAU-LAT-356bd3c2-8
0.216
NAU-LAT-356bd3c2-5
0.213
LUK-UNK-17c446f9-1
0.212
NIM-UNI-310206f0-60
0.211
RYA-UNI-6f4cba40-1
0.209
NIM-UNI-310206f0-57
0.207
JOH-UNI-6fc75a7c-3
0.207
JOH-UNI-6fc75a7c-4
0.207
NIM-UNI-310206f0-33
0.205
MIC-UNK-221d8b72-1
0.204
MED-UNK-28939ac5-12
0.202
NIM-UNI-310206f0-10
0.200
JON-UIO-56032f80-7
0.196
NIM-UNI-310206f0-47
0.195
NIM-UNI-310206f0-58
0.193
NIM-UNI-310206f0-39
0.193
NIM-UNI-310206f0-55
0.193
NIM-UNI-310206f0-64
0.189
NIM-UNI-310206f0-52
0.185
GAB-REV-70cc3ca5-6
0.185
NIM-UNI-310206f0-59
0.184
NIM-UNI-310206f0-53
0.183
NIM-UNI-310206f0-56
0.182
NIM-UNI-310206f0-30
0.181
NIM-UNI-310206f0-61
0.180
RYA-UNI-da6d17ea-1
0.179
NIM-UNI-310206f0-50
0.179
NIM-UNI-310206f0-65
0.179
NIM-UNI-310206f0-62
0.177
NIM-UNI-310206f0-66
0.177
RYA-MOD-343ecd80-6
0.175
ALP-POS-3fc1724e-1
0.174
PET-UNK-7f7e354d-7
0.173
MAR-UCB-195bc32d-5
0.172
JIN-POS-6dc588a4-12
0.172
VLA-UNK-eaa804fd-3
0.165
WIL-UNI-d4749f31-18
0.165
CAL-UNK-89ac5983-1
0.163
BEN-DND-b89db3f2-4
0.162
SER-UNI-985a0e14-2
0.162
PET-UNK-b38839dc-12
0.161
PET-UNK-7279c968-4
0.161
FRA-DIA-0fa076fe-4
0.160
JON-UIO-314afe9d-6
0.160
ERI-UCB-ce40166b-19
0.160
JUL-TUD-06b2044f-35
0.159
BEN-DND-7e92b6ca-1
0.156
BAR-COM-0f94fc3d-22
0.155
MAR-UCB-fd2e172f-31
0.155
KTA-UNK-dac325de-2
0.155
SID-ELM-8b394441-10
0.155
ERI-UCB-ce40166b-7
0.154
ALP-POS-bea7b391-3
0.154
TAT-ENA-80bfd3e5-16
0.153
EDJ-MED-edeb0d3a-2
0.153
MAT-POS-3b536971-1
0.153
RAL-THA-1d44ff04-12
0.153
DAR-DIA-1a77c53a-9
0.153
AMY-UNI-96aa4547-1
0.152
DAR-DIA-1a77c53a-1
0.152
EDJ-MED-bbe8e3da-3
0.152
MAR-TRE-c8530538-30
0.152
NAU-LAT-356bd3c2-11
0.152
JOH-UNI-f0df842c-2
0.152
OLE-CAR-5b17bec5-1
0.151
NAU-LAT-356bd3c2-4
0.150