Molecular Properties | |
SMILES: | Cc1nn(-c2ccccc2)c(Nc2cccc(C(F)(F)F)c2)c1NS(C)(=O)=O |
MW: | 410.1 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 76.02 |
cLogP: | 4.31 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-06-06 |
Synthesis Location: | enamine |
Shipped: | 2020-06-30 |
Hetero_hetero
BEN-VAN-ed886787-17
0.272
LON-WEI-5e7d1b3e-63
0.263
LON-WEI-4d77710c-63
0.263
UNK-CYC-68f84b31-40
0.262
KEI-TRE-d5e2018a-94
0.260
MAR-UCB-195bc32d-32
0.259
MAT-POS-a3f7f96a-4
0.259
MAR-LAB-ff9967db-18
0.257
LON-WEI-4d77710c-23
0.248
LON-WEI-5e7d1b3e-23
0.248
MAT-POS-162a9720-2
0.244
NIL-NON-a189c016-1
0.244
TAT-ENA-80bfd3e5-35
0.241
CHR-GRO-51f79798-1
0.240
UNK-UNK-2ede4078-24
0.238
JAG-UCB-a3ef7265-21
0.237
ERI-UCB-a0b0dbcb-4
0.234
MAR-UCB-195bc32d-35
0.229
UNK-CYC-68f84b31-58
0.229
UNK-CYC-68f84b31-49
0.226
NAU-LAT-f723e322-3
0.224
UNK-CYC-68f84b31-25
0.224
MAT-POS-a3f7f96a-5
0.224
MAK-UNK-9e4a73aa-30
0.223
UNK-CYC-68f84b31-24
0.223
IND-SYN-a2b2ab0e-4
0.222
IND-SYN-5e5c1c3e-4
0.222
JAG-UCB-1d922829-6
0.221
WAR-XCH-b72a1bbc-45
0.218
UNK-CYC-68f84b31-17
0.217
SID-ELM-b654bfa2-5
0.216
DAR-DIA-2964957d-7
0.216
MAK-UNK-6435e6c2-7
0.214
JAN-GHE-83b26c96-14
0.214
AAR-POS-0daf6b7e-31
0.214
ALP-POS-95b75b4d-3
0.214
DAR-DIA-0cde14eb-76
0.214
AAR-UNI-c25c2f1e-23
0.214
JOH-UNI-61f30276-4
0.214
UNK-CYC-68f84b31-32
0.213
GER-UNI-05c7e912-1
0.211
MAR-LAB-ff9967db-12
0.211
LON-WEI-5e7d1b3e-69
0.211
LON-WEI-4d77710c-69
0.211
UNK-CYC-68f84b31-37
0.210
GIA-UNK-7337c2f3-13
0.210
JOH-UNI-abfda500-7
0.210
WIL-UNI-1faa9b10-13
0.210
WIL-UNI-1faa9b10-2
0.208
DAR-DIA-2964957d-5
0.208
MAK-UNK-1e8f9e3c-1
0.208
MAK-UNK-9159f8ed-6
0.208
MIH-UNI-e573136b-15
0.208
LON-WEI-adc59df6-15
0.207
SAD-SAT-2fd372d1-8
0.207
UNK-CYC-68f84b31-34
0.206
UNK-CYC-68f84b31-65
0.206
UNK-CYC-68f84b31-43
0.205
MEL-NAT-8c3652c8-4
0.205
SID-ELM-8b394441-11
0.204
MAK-UNK-9159f8ed-7
0.204
WAR-XCH-b6889685-27
0.202
MAK-UNK-9e4a73aa-29
0.202
MAT-POS-fa06b69f-7
0.202
TAT-ENA-80bfd3e5-45
0.202
UNK-CYC-68f84b31-30
0.202
KEN-MCD-4729dc98-1
0.200
MAR-TRE-fd17a9b8-56
0.200
MAT-POS-90fd5f68-30
0.200
MAK-UNK-9159f8ed-4
0.200
DAR-DIA-093892e4-5
0.200
AUS-ARG-7cfdce8f-12
0.200
ROD-UFR-9b69e111-1
0.200
BRU-UNI-248b30bc-29
0.198
JAN-GHE-4287bd1a-3
0.198
MAK-UNK-9159f8ed-3
0.198
IND-SYN-a2b2ab0e-3
0.198
IND-SYN-5e5c1c3e-3
0.198
KEI-TRE-fa9ada3e-20
0.197
MAK-UNK-9159f8ed-5
0.196
WAR-XCH-b72a1bbc-47
0.196
MAK-UNK-9e4a73aa-1
0.196
MAR-LAB-ff9967db-31
0.195
UNK-CYC-68f84b31-70
0.195
IND-SYN-6c8299e8-2
0.194
ALP-POS-d0876c20-2
0.194
EDJ-MED-c4e42105-3
0.194
WIL-UNI-5578df48-21
0.194
MAT-POS-e10a589d-2
0.193
TAT-ENA-80bfd3e5-1
0.193
UNK-CYC-68f84b31-41
0.193
DAR-DIA-2964957d-8
0.192
RAL-THA-2d450e86-31
0.192
MAK-UNK-9e4a73aa-28
0.192
WIL-UNI-5578df48-19
0.192
WAR-XCH-b6889685-29
0.191
UNK-CYC-68f84b31-74
0.191
UNK-CYC-68f84b31-62
0.191
WAR-XCH-79d12f6e-3
0.191
WIL-UNI-1faa9b10-7
0.190