Molecular Properties | |
SMILES: | O=c1[nH]c(=O)n(C2CC(O)C(CO)O2)cc1C(F)(F)F |
MW: | 296.06 |
Fraction sp3: | 0.6 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 2 |
TPSA: | 104.55 |
cLogP: | -0.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2741899996 |
MolPort: | MolPort-004-955-206 |
Filter82_pyridinium
AAR-POS-d2a4d1df-18
MAR-TRE-fffca54f-52
0.623
MAR-TRE-ebcc4ad6-22
0.617
MAR-TRE-fffca54f-27
0.617
MAR-TRE-fffca54f-25
0.597
MAR-TRE-ebcc4ad6-6
0.597
MAR-TRE-fffca54f-60
0.552
MAR-TRE-ebcc4ad6-18
0.552
MAR-TRE-fffca54f-51
0.477
MAR-TRE-85681e92-9
0.392
MAR-TRE-85681e92-24
0.388
MAR-TRE-fffca54f-58
0.386
MAR-TRE-fffca54f-41
0.385
MAR-TRE-85681e92-7
0.362
MAR-TRE-85681e92-31
0.360
MAR-TRE-85681e92-15
0.358
MAR-TRE-85681e92-4
0.358
MAR-TRE-85681e92-5
0.358
MAR-TRE-85681e92-50
0.353
MAR-TRE-36bf7dba-13
0.348
MAR-TRE-fffca54f-57
0.342
MAR-TRE-ebcc4ad6-16
0.342
MAR-TRE-36bf7dba-77
0.337
MAR-TRE-fffca54f-46
0.333
MAR-TRE-4f39ef4a-42
0.333
MAR-TRE-4f39ef4a-19
0.322
MAR-TRE-fffca54f-23
0.305
MAR-TRE-85681e92-1
0.303
MAR-TRE-ebcc4ad6-37
0.284
MAR-TRE-ebcc4ad6-5
0.282
MAR-TRE-36bf7dba-16
0.278
MAR-TRE-4f39ef4a-4
0.271
MAR-TRE-fffca54f-53
0.270
MAR-TRE-85681e92-11
0.258
MAR-TRE-fffca54f-37
0.250
MAR-TRE-3724962b-11
0.247
MAR-TRE-85681e92-17
0.227
MAR-TRE-36bf7dba-24
0.227
MAR-TRE-85681e92-8
0.225
MAR-TRE-85681e92-19
0.225
MAR-TRE-36bf7dba-18
0.222
MAR-TRE-85681e92-28
0.218
MAR-TRE-fffca54f-24
0.215
MAR-TRE-ebcc4ad6-19
0.214
MAR-TRE-fffca54f-68
0.214
MAR-TRE-ebcc4ad6-4
0.212
MAR-TRE-fffca54f-11
0.212
MAR-TRE-85681e92-16
0.211
MAR-TRE-85681e92-14
0.209
MAR-TRE-423310b6-2
0.208
MAR-TRE-36bf7dba-61
0.208
JAR-IMP-dd656357-5
0.206
MAN-UBA-b9580c3f-1
0.205
MAR-TRE-ebcc4ad6-28
0.202
MAR-TRE-85681e92-32
0.202
MAR-TRE-ebcc4ad6-31
0.200
MAR-TRE-85681e92-6
0.200
MAR-TRE-85681e92-23
0.200
MAR-TRE-fffca54f-22
0.200
MAR-TRE-fffca54f-36
0.200
MAR-TRE-85681e92-18
0.198
MAR-TRE-85681e92-2
0.198
MAR-TRE-85681e92-3
0.198
MAR-TRE-85681e92-13
0.198
MAR-TRE-fffca54f-48
0.195
MAR-TRE-ebcc4ad6-13
0.195
RED-RED-10c9212c-39
0.194
MAT-POS-932d1078-7
0.194
MAR-TRE-4f39ef4a-17
0.194
MAR-TRE-e82e6c98-35
0.191
MAR-TRE-ebcc4ad6-1
0.187
MAR-TRE-fffca54f-3
0.187
MAR-TRE-fffca54f-39
0.187
MAR-TRE-423310b6-3
0.186
MAR-TRE-3724962b-14
0.185
MAR-TRE-85681e92-21
0.185
MAR-TRE-423310b6-4
0.184
MAR-TRE-ebcc4ad6-34
0.183
MAR-TRE-423310b6-5
0.182
BEN-DND-6de5dfa0-20
0.180
BRU-UNI-248b30bc-29
0.179
MAR-TRE-4f39ef4a-3
0.179
MAR-TRE-fffca54f-84
0.179
MAR-TRE-ebcc4ad6-23
0.179
KEI-TRE-fa9ada3e-17
0.177
MAR-TRE-fffca54f-44
0.177
MAR-TRE-ebcc4ad6-11
0.177
MAR-TRE-dab8f6ea-17
0.177
MAR-TRE-4f39ef4a-7
0.177
ABI-SAT-a53b70f8-1
0.176
MAK-UNK-3f402c2b-10
0.176
MAR-TRE-fffca54f-15
0.176
MAR-TRE-ebcc4ad6-10
0.174
MAK-UNK-c7aa8293-4
0.174
RIC-ARG-a8e88843-3
0.173
JAR-IMP-dd656357-3
0.172
MAR-TRE-87acfbcc-88
0.171
MAR-TRE-85681e92-48
0.170
MAK-UNK-2084232d-11
0.170
MAR-TRE-423310b6-1
0.170
ABI-SAT-a53b70f8-2
0.170