Molecular Properties | |
SMILES: | NC(=O)c1nc(O)c2ccc(F)n2n1 |
MW: | 196.141 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 1 |
TPSA: | 93.51 |
cLogP: | -0.3271 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
α-Halogen substituted N-heterocycles
AAR-POS-d2a4d1df-1
MAN-SYN-45e45961-10
0.529
MAN-SYN-45e45961-4
0.460
MAN-SYN-45e45961-7
0.364
MAN-SYN-45e45961-8
0.353
MAN-SYN-45e45961-9
0.278
KEN-ILL-f8fa3277-1
0.235
JAS-UND-c13ee042-1
0.232
JAS-UND-c13ee042-2
0.232
GIA-UNK-a33ae3bd-1
0.229
MAN-SYN-45e45961-3
0.227
JAS-UND-c13ee042-4
0.220
JAS-UND-c13ee042-3
0.217
MAN-SYN-45e45961-2
0.216
DOM-UNK-a98196c8-1
0.211
JAS-UND-c13ee042-5
0.206
SAN-PRS-c955de36-1
0.204
MAK-UNK-de9577cf-8
0.200
ANT-OPE-45835252-2
0.197
BEN-DND-76ad4ac9-4
0.192
MAR-TRE-ebcc4ad6-11
0.191
MAR-TRE-f5c2d31c-98
0.191
KEI-TRE-fa9ada3e-17
0.191
MAR-TRE-fffca54f-44
0.191
MAK-UNK-de9577cf-6
0.190
MAK-UNK-de9577cf-7
0.190
MAK-UNK-de9577cf-9
0.187
DRV-DNY-ae159ed1-11
0.187
MAR-TRE-aca67d11-52
0.186
EDJ-MED-39aed21e-1
0.186
MAR-TRE-9c797165-1
0.185
MAR-TRE-fffca54f-77
0.185
MAR-TRE-a3327163-37
0.185
MAK-UNK-de9577cf-11
0.183
DRV-DNY-ae159ed1-2
0.182
RAF-POL-b61b4b25-6
0.182
MAN-SYN-45e45961-6
0.181
MAR-TRE-74c6519b-26
0.181
MAK-UNK-de9577cf-10
0.179
ALP-POS-cd485364-1
0.179
MAR-TRE-f5c2d31c-95
0.178
MAR-TRE-f5c2d31c-62
0.178
ALV-UNI-7ff1a6f9-36
0.177
MAK-UNK-de9577cf-20
0.176
UNK-UNK-2ede4078-57
0.176
JON-UIO-d041ac75-6
0.176
MAK-UNK-de9577cf-22
0.176
MAR-TRE-14ce9fd6-4
0.176
MAR-TRE-aca67d11-67
0.176
MAK-UNK-de9577cf-19
0.175
MAK-UNK-6ca90168-19
0.175
MAK-UNK-de9577cf-15
0.173
DRV-DNY-ae159ed1-8
0.173
DRV-DNY-ae159ed1-14
0.173
ALV-UNI-7ff1a6f9-35
0.173
ALV-UNI-7ff1a6f9-33
0.173
WIL-UNI-1faa9b10-18
0.171
DRA-CSI-3ab97369-16
0.171
MAR-TRE-a3327163-28
0.171
DRA-CSI-57d71107-2
0.171
ALV-UNI-7ff1a6f9-5
0.171
WIL-UNI-1faa9b10-36
0.170
JON-CHE-41f76505-2
0.170
MAK-UNK-de9577cf-13
0.170
MAR-TRE-d3c2bf0e-78
0.170
MAK-UNK-de9577cf-12
0.170
MAT-POS-7dfc56d9-1
0.169
MAR-TRE-e86a56b5-70
0.169
ABI-SAT-27442b71-3
0.169
MAR-TRE-0fda4e82-77
0.169
MAR-TRE-c8530538-45
0.169
ALV-UNI-7ff1a6f9-34
0.169
UNK-UNK-2ede4078-55
0.169
NIC-BIO-2722da07-1
0.169
MAK-UNK-de9577cf-2
0.168
MAK-UNK-de9577cf-5
0.168
MAK-UNK-de9577cf-3
0.167
MAR-TRE-fffca54f-22
0.167
DRV-DNY-ae159ed1-13
0.167
DAR-DIA-bd041b9b-26
0.167
JAG-UCB-ef2c0e8e-1
0.167
SAN-PRS-3c4a6997-10
0.167
MAK-UNK-de9577cf-17
0.167
DRV-DNY-ae159ed1-16
0.167
ERI-WAB-56c49854-1
0.167
MAR-TRE-1c920f6f-20
0.165
MAR-TRE-4b834d9a-49
0.165
MAR-TRE-f5c2d31c-17
0.165
WIL-UNI-1faa9b10-46
0.165
DRV-DNY-ae159ed1-20
0.165
ALV-UNI-7ff1a6f9-2
0.165
MAR-TRE-423310b6-16
0.164
MAK-UNK-de9577cf-16
0.164
MAR-TRE-4b834d9a-21
0.163
AAR-UNI-c25c2f1e-23
0.163
BRU-THA-a358fbdd-7
0.163
MAR-TRE-66ac689e-100
0.163
SID-ELM-b654bfa2-5
0.163
JON-UNI-bb9dc649-4
0.162
MAR-TRE-aca67d11-89
0.162
MAR-TRE-f5c2d31c-65
0.162