Molecular Properties | |
SMILES: | COc1ccc2c(c1F)NC(=O)C2=O |
MW: | 195.03 |
Fraction sp3: | 0.11 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 55.4 |
cLogP: | 0.97 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6655436949 |
MolPort: | MolPort-039-060-356 |
Order Status | |
Shipped: | 2020-07-21 |
diketo group
Filter41_12_dicarbonyl
Ketone
LOR-NOR-30067bb9-14
0.404
LOR-NEU-c8f11034-1
0.360
LOR-NOR-30067bb9-15
0.274
NAU-LAT-ec9c7557-2
0.273
LOR-NOR-30067bb9-16
0.268
LOR-NOR-30067bb9-2
0.263
NAU-LAT-b0463c38-2
0.240
LOR-NEU-c8f11034-4
0.228
LOR-NOR-30067bb9-13
0.212
JEF-THE-add32b9a-1
0.212
MAR-TRE-a9136c7b-27
0.207
LOR-NEU-c8f11034-3
0.207
LOR-NOR-30067bb9-1
0.203
PET-UNK-f9b7ae87-8
0.202
PET-UNK-b38839dc-28
0.202
LOR-NEU-c8f11034-6
0.197
PET-UNK-b38839dc-13
0.194
PET-UNK-7279c968-8
0.194
KEI-TRE-d5e2018a-80
0.193
JON-UNI-93996c9d-2
0.192
DAV-UNK-07f953a2-7
0.191
MEL-NAT-8c3652c8-3
0.190
WIL-UNI-1faa9b10-44
0.190
JON-UNI-93996c9d-7
0.187
LON-WEI-ff7b210a-3
0.187
MAK-UNK-af83ef51-3
0.186
MAR-TRE-d0525fbf-70
0.184
MAR-UNI-c84db004-14
0.183
GAB-REV-4a4e2ff3-8
0.182
WIL-UNI-1faa9b10-34
0.182
MAR-TRE-799db12b-79
0.182
MAR-TRE-3724962b-16
0.181
MAR-TRE-fd17a9b8-47
0.179
MAR-TRE-0fda4e82-82
0.179
MAR-TRE-be9ff7d2-86
0.179
MAR-TRE-fd17a9b8-100
0.179
MAR-TRE-799db12b-5
0.179
MAR-TRE-e86a56b5-38
0.179
PET-UNK-b38839dc-29
0.178
MAR-TRE-e86a56b5-74
0.178
JON-UNI-93996c9d-1
0.178
MAK-UNK-7a704a63-22
0.178
LON-WEI-ff7b210a-6
0.178
MAR-TRE-fffca54f-16
0.177
MAK-UNK-0955449e-30
0.177
MAR-TRE-e86a56b5-87
0.176
SAD-SAT-5b1897b2-5
0.176
ANT-LOU-17aa1493-2
0.175
LOR-NOR-30067bb9-7
0.175
JAR-KUA-8c13982c-20
0.174
MAR-UNI-c84db004-20
0.174
MAR-TRE-87acfbcc-94
0.173
MAR-TRE-8a25d817-9
0.173
NAU-LAT-b0463c38-7
0.173
MAR-TRE-aca67d11-4
0.173
MAR-TRE-36bf7dba-52
0.173
MAT-POS-b5746674-43
0.173
WIL-UNI-1faa9b10-9
0.173
MAR-TRE-fffca54f-21
0.172
MAR-TRE-fffca54f-28
0.172
MAT-POS-b5746674-79
0.172
MAK-UNK-de9577cf-2
0.172
LOR-NEU-c8f11034-8
0.171
MAR-TRE-8190bb11-78
0.171
MAR-TRE-fd17a9b8-50
0.171
MAR-TRE-66ac689e-87
0.171
MAR-TRE-fd17a9b8-4
0.171
MAT-POS-fa06b69f-5
0.171
TAT-ENA-80bfd3e5-36
0.171
VLA-UNK-eaa804fd-2
0.170
MAR-UCB-195bc32d-33
0.170
VLA-UNK-eaa804fd-5
0.170
MAK-UNK-de9577cf-3
0.170
PET-UNK-f9b7ae87-5
0.170
LIZ-THE-6efed59f-3
0.170
LOR-NOR-30067bb9-17
0.169
MAR-TRE-aca67d11-5
0.169
JON-UNI-bb9dc649-5
0.169
MAT-GRU-7002a1a0-1
0.169
MAR-TRE-2fd8122f-74
0.168
PET-UNK-e9bc7c59-8
0.168
JOH-MR_-42fa5481-2
0.167
MAT-POS-b5746674-81
0.167
MAR-TRE-7f7bb9f0-73
0.167
CLI-TLC-bf000c24-1
0.167
MAR-TRE-3159af1a-57
0.167
BAR-COM-0f94fc3d-34
0.167
NAU-LAT-b0463c38-5
0.167
MAR-TRE-6a44bbf2-45
0.167
KEI-TRE-d5e2018a-49
0.167
MAK-UNK-7c9d1431-30
0.167
DAR-DIA-1a77c53a-2
0.167
VLA-UNK-c3e99b7a-1
0.167
SAN-PRS-c955de36-1
0.167
LOR-NOR-30067bb9-9
0.167
BEN-DND-6de5dfa0-21
0.167
MAR-TRE-799db12b-32
0.167
NAU-LAT-1b663c1e-2
0.167
PET-UNK-f9b7ae87-9
0.165
MAR-TRE-fffca54f-30
0.165