Molecular Properties | |
SMILES: | NC(=O)[C@H]1C[C@H](O)C[C@H]1c1csc(-c2cccc3[nH]ccc23)c1 |
MW: | 326.421 |
Fraction sp3: | 0.28 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 3 |
TPSA: | 79.11 |
cLogP: | 3.2362 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
AAR-POS-d2a4d1df-14
MED-UNK-28939ac5-10
0.581
MED-UNK-28939ac5-13
0.533
MED-UNK-28939ac5-9
0.523
MED-UNK-28939ac5-11
0.505
MED-UNK-28939ac5-4
0.488
MED-UNK-28939ac5-3
0.465
MED-UNK-28939ac5-5
0.465
MED-UNK-28939ac5-2
0.432
MED-UNK-28939ac5-1
0.367
MED-UNK-28939ac5-6
0.284
MED-UNK-28939ac5-8
0.281
NAU-LAT-356bd3c2-3
0.265
RYA-MOD-343ecd80-2
0.260
NAU-LAT-356bd3c2-2
0.258
JOH-UNI-f0df842c-4
0.255
JON-UIO-56032f80-6
0.250
JOH-UNI-0304dea8-2
0.250
JOH-UNI-6fc75a7c-3
0.245
JOH-UNI-0304dea8-4
0.242
GIA-UNK-b9c616ea-1
0.240
MIC-UNK-221d8b72-1
0.240
NAU-LAT-356bd3c2-1
0.240
ALP-POS-c59291d4-5
0.240
JON-UIO-56032f80-3
0.238
JOH-UNI-0304dea8-1
0.235
JOH-UNI-6fc75a7c-1
0.235
NIM-UNI-310206f0-10
0.234
AAR-POS-d2a4d1df-14
0.233
NAU-LAT-356bd3c2-7
0.231
JOH-UNI-6fc75a7c-5
0.230
GIA-UNK-b9c616ea-4
0.230
MED-UNK-28939ac5-7
0.228
JOH-UNI-f0df842c-1
0.226
GIA-UNK-b9c616ea-6
0.225
JOH-UNI-0304dea8-3
0.225
LUK-UNK-17c446f9-1
0.224
RYA-MOD-343ecd80-3
0.224
GIA-UNK-b9c616ea-5
0.223
GIA-UNK-b9c616ea-3
0.222
JOH-UNI-6fc75a7c-4
0.220
JOH-UNI-7a6e29a5-5
0.219
JOH-UNI-6fc75a7c-2
0.218
NAU-LAT-356bd3c2-8
0.217
JOH-UNI-7a6e29a5-2
0.216
LIZ-THE-60ec5b32-1
0.211
JON-UIO-56032f80-7
0.210
NIM-UNI-310206f0-50
0.209
NIM-UNI-310206f0-57
0.208
JOH-UNI-7a6e29a5-3
0.208
NIM-UNI-310206f0-47
0.207
SCO-VAN-260d9628-3
0.206
JOH-UNI-7a6e29a5-1
0.206
NIM-UNI-310206f0-39
0.205
NIM-UNI-310206f0-55
0.205
NIM-UNI-310206f0-58
0.205
NIM-UNI-310206f0-59
0.205
LON-WEI-af038623-4
0.204
ASH-UNK-40b46b30-2
0.204
JOH-UNI-7a6e29a5-4
0.204
PET-SGC-481b48b7-2
0.204
RYA-MOD-343ecd80-8
0.204
NIM-UNI-310206f0-56
0.203
MAR-UCB-195bc32d-9
0.202
RYA-MOD-343ecd80-7
0.202
NIM-UNI-310206f0-60
0.202
NIM-UNI-310206f0-61
0.202
NIM-UNI-310206f0-30
0.201
NIM-UNI-310206f0-65
0.200
GIA-UNK-b9c616ea-7
0.200
GAB-REV-70cc3ca5-6
0.198
PET-SGC-a3e47117-1
0.198
GIA-UNK-b9c616ea-2
0.198
RYA-MOD-343ecd80-1
0.198
NIM-UNI-310206f0-33
0.197
NIM-UNI-310206f0-53
0.195
LON-WEI-1908424e-4
0.194
MAT-POS-ea426761-71
0.193
MAR-TRE-36bf7dba-75
0.193
RYA-MOD-343ecd80-4
0.193
SID-ELM-2583a2cd-1
0.192
NIR-THE-99f25457-4
0.191
NIM-UNI-310206f0-64
0.191
MAR-TRE-36bf7dba-27
0.190
WIL-UNI-d4749f31-14
0.190
NIM-UNI-310206f0-62
0.189
NIM-UNI-310206f0-66
0.189
MAR-TRE-36bf7dba-21
0.189
NIR-THE-99f25457-1
0.189
NIM-UNI-310206f0-52
0.188
MAR-UCB-195bc32d-22
0.188
MAK-UNK-1cb0e944-8
0.187
RYA-UNI-6f4cba40-1
0.186
MED-COV-4280ac29-20
0.186
MAD-UNK-2d4faae7-1
0.185
MAR-TRE-36bf7dba-26
0.185
NIR-THE-99f25457-3
0.184
MAK-UNK-be5ffcbc-3
0.184
SCO-VAN-260d9628-2
0.184
SID-ELM-b654bfa2-17
0.183
NAU-LAT-81109c57-8
0.183