Molecular Properties | |
SMILES: | CCOC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1 |
MW: | 362.14 |
Fraction sp3: | 0.41 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 86.43 |
cLogP: | 0.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-12 |
Carboxylic acid esters
aliphatic ester, not lactones
Ester
UNK-CYC-68f84b31-11
0.255
UNK-CYC-68f84b31-28
0.252
MAK-UNK-af83ef51-7
0.250
MAT-POS-ea426761-63
0.245
UNK-CYC-68f84b31-57
0.235
MAT-POS-ea426761-60
0.226
RAI-NOV-2f6a9876-4
0.226
MAT-POS-b5746674-10
0.223
MAR-TRE-e82e6c98-71
0.222
MAR-TRE-fd17a9b8-56
0.221
BEN-VAN-5787f7d3-5
0.220
MAR-TRE-a3327163-44
0.220
UNK-CYC-68f84b31-88
0.218
MAR-TRE-e82e6c98-96
0.218
DAN-MCD-0742953f-1
0.218
BAR-COM-4e090d3a-62
0.217
UNK-CYC-68f84b31-87
0.216
UNK-CYC-68f84b31-27
0.214
JUL-TUD-06b2044f-119
0.213
MAR-TRE-be9ff7d2-77
0.213
SEL-UNI-cd366922-1
0.212
UNK-CYC-68f84b31-19
0.211
MAR-TRE-d0525fbf-100
0.210
RAF-POL-950dada1-5
0.210
MAR-TRE-e82e6c98-31
0.210
MAR-TRE-a9136c7b-77
0.210
KIM-UNI-60f168f5-8
0.209
MAR-TRE-66ac689e-60
0.209
MAK-UNK-3f402c2b-4
0.208
MAR-TRE-92684b97-76
0.208
MAR-TRE-e82e6c98-49
0.207
MAR-TRE-87acfbcc-18
0.207
UNK-CYC-68f84b31-21
0.207
BOG-INS-177e97e6-1
0.206
MAR-TRE-c317dd82-97
0.206
DAV-UNI-bdcebb58-1
0.205
LON-WEI-4d77710c-74
0.205
LON-WEI-5e7d1b3e-74
0.205
KIM-UNI-60f168f5-10
0.205
MAR-TRE-2fd8122f-30
0.205
AAR-POS-fca48359-3
0.205
BEN-VAN-5787f7d3-8
0.205
ALP-POS-7c842ab8-1
0.203
UNK-CYC-68f84b31-55
0.203
MAR-TRE-e82e6c98-72
0.202
MAR-TRE-0fda4e82-6
0.202
GIA-UNK-d2defdc3-9
0.202
LON-WEI-4d77710c-46
0.202
MAT-POS-b5746674-97
0.202
LON-WEI-5e7d1b3e-46
0.202
UNK-CYC-68f84b31-61
0.200
MAR-TRE-be9ff7d2-95
0.200
MAR-TRE-799db12b-67
0.200
MAT-POS-590ac91e-8
0.200
UNK-CYC-68f84b31-5
0.200
SIM-DEM-4fb93ec7-1
0.200
MAR-TRE-c317dd82-85
0.200
UNK-CYC-68f84b31-47
0.200
BEN-VAN-5787f7d3-10
0.200
SIM-DEM-2843056b-2
0.198
BEN-VAN-5787f7d3-6
0.198
MAR-TRE-be9ff7d2-33
0.198
LON-WEI-5e7d1b3e-12
0.198
LON-WEI-4d77710c-12
0.198
MAR-TRE-3e4e6814-96
0.198
UNK-CYC-68f84b31-80
0.197
MAT-POS-b5746674-23
0.197
MAR-TRE-66ac689e-31
0.196
MAR-TRE-e82e6c98-48
0.196
PEI-IMP-3d837503-1
0.196
UNK-CYC-68f84b31-6
0.195
MAR-TRE-c317dd82-20
0.195
TRY-UNI-9f475305-5
0.195
PET-SGC-01d224dd-1
0.195
KIM-UNI-60f168f5-9
0.195
HAR-NEW-e34cb1ae-5
0.195
MAR-TRE-be9ff7d2-46
0.194
MAR-TRE-be9ff7d2-55
0.194
MAR-TRE-fd17a9b8-64
0.194
MAK-UNK-af83ef51-9
0.194
RUT-UNI-630c5802-7
0.194
NJA-MAN-00c90aa2-53
0.193
NIC-BIO-ec630548-4
0.193
MAR-TRE-c317dd82-78
0.193
MAK-UNK-10dfa458-12
0.193
MAR-TRE-799db12b-63
0.192
ALP-POS-7c842ab8-2
0.192
UNK-CYC-68f84b31-62
0.192
VAL-ASS-c8151e3f-1
0.192
BEN-VAN-5787f7d3-4
0.192
NIC-BIO-ec630548-3
0.191
MAR-TRE-8190bb11-27
0.191
SIM-DEM-2843056b-4
0.191
BEN-VAN-c986b20b-4
0.191
MAR-TRE-4f781e27-67
0.191
NAU-LAT-3f5f3993-3
0.191
NIC-BIO-96ee2ca4-2
0.190
BEN-DND-09b88bf4-6
0.190
MAR-TRE-e82e6c98-34
0.190
BEN-DND-6de5dfa0-7
0.190