Molecular Properties | |
SMILES: | CNC(=O)c1ccc(CS(=O)(=O)NCC(F)(F)c2ccc(F)cc2F)cc1 |
MW: | 404.385 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 75.27 |
cLogP: | 2.5358 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine Extended REAL: | s_40____12853920____9982642 |
MolPort: | MolPort-047-477-358 |
Order Status | |
Ordered: | 2020-04-29 |
Synthesis Location: | enamine |
Shipped: | 2020-05-26 |
high halogen content (>3)
Hetero_hetero
MAR-TRE-4f781e27-25
0.375
JON-UNI-4b544d07-6
0.277
AAR-UNI-c25c2f1e-27
0.259
AAR-UNI-c25c2f1e-28
0.253
MAR-TRE-4f781e27-99
0.250
AAR-UNI-c25c2f1e-73
0.238
MAR-TRE-be9ff7d2-28
0.234
MAR-TRE-a9136c7b-46
0.229
WIL-UNI-1faa9b10-5
0.228
AAR-UNI-c25c2f1e-97
0.226
MAR-TRE-a9136c7b-58
0.224
WIL-UNI-1faa9b10-42
0.223
ASH-UNK-40b46b30-2
0.222
KAT-UNK-b2a0d5b1-1
0.222
BEN-DND-03406596-6
0.221
BEN-DND-76ad4ac9-10
0.221
NAU-LAT-445f63e5-2
0.221
MAR-TRE-fd17a9b8-82
0.219
MAR-TRE-f6f5f473-79
0.218
MAK-UNK-27459e11-16
0.215
MAR-TRE-8190bb11-22
0.215
MAR-TRE-a9136c7b-33
0.215
MAR-TRE-c317dd82-76
0.215
JOH-IMS-54aa76a2-6
0.214
MAK-UNK-2c1752f0-5
0.211
MAR-TRE-9d18ae8c-1
0.210
MAK-UNK-27459e11-10
0.209
MAR-TRE-4f781e27-55
0.208
MAR-TRE-6a44bbf2-62
0.208
MAR-TRE-a9136c7b-52
0.208
KEI-TRE-d5e2018a-36
0.208
JOH-UNI-c7afdb96-10
0.206
WIL-UNI-1faa9b10-13
0.206
WIL-UNI-1faa9b10-25
0.206
WIL-UNI-1faa9b10-44
0.206
MAR-TRE-fffca54f-99
0.204
MAK-UNK-de9577cf-9
0.203
MAT-POS-b5746674-27
0.202
ALP-POS-df536be7-1
0.202
SCO-VAN-260d9628-2
0.200
MAR-TRE-f5c2d31c-8
0.198
MAK-UNK-c44f4be0-14
0.198
AAR-UNI-c25c2f1e-94
0.198
WIL-UNI-1faa9b10-38
0.198
WIL-UNI-1faa9b10-45
0.198
MAR-TRE-e86a56b5-46
0.198
MAK-UNK-27459e11-15
0.198
MAK-UNK-0955449e-25
0.196
BEN-VAN-c986b20b-8
0.196
MAR-TRE-f6f5f473-75
0.196
WIL-UNI-1faa9b10-6
0.196
WIL-UNI-1faa9b10-19
0.196
MAR-TRE-c317dd82-24
0.196
EDJ-MED-39aed21e-1
0.195
AAR-POS-0daf6b7e-46
0.195
MAR-TRE-4f781e27-80
0.194
WIL-UNI-1faa9b10-16
0.194
MAK-UNK-de9577cf-19
0.193
RED-RED-10c9212c-11
0.192
JUA-UNI-bc099708-4
0.192
MAK-UNK-de9577cf-16
0.192
JON-UIO-066ce08b-10
0.192
MAR-TRE-8190bb11-36
0.191
AAR-UNI-c25c2f1e-6
0.190
MAR-TRE-799db12b-66
0.189
NAU-LAT-445f63e5-5
0.189
MAT-POS-b5746674-112
0.189
EDJ-MED-bbe8e3da-3
0.189
ANT-DIA-b7f58f21-7
0.189
WIL-LEE-1f71e281-7
0.189
MAT-POS-90fd5f68-2
0.189
JOR-WAB-2fd4136b-1
0.189
MAR-LAB-ff9967db-5
0.189
UNK-CYC-68f84b31-38
0.189
MAR-LAB-ca4662a6-4
0.188
MAR-TRE-92684b97-46
0.188
MAR-TRE-2fd8122f-45
0.188
MAR-TRE-be9ff7d2-37
0.188
DAN-RED-da448e80-5
0.188
WIL-UNI-1faa9b10-15
0.188
WIL-UNI-1faa9b10-26
0.188
SAD-SAT-f0a2747f-8
0.188
WIL-UNI-1faa9b10-4
0.188
MAK-UNK-de9577cf-7
0.187
PET-UNK-03fd2068-11
0.187
MAR-TRE-04c86cea-65
0.187
JOR-WAB-5f511e4e-1
0.187
MAR-TRE-4f781e27-85
0.187
RAL-THA-6b94ceba-16
0.186
WIL-UNI-1faa9b10-7
0.186
JUA-UNI-b93289a4-3
0.186
MAR-TRE-be9ff7d2-86
0.186
MAR-TRE-fd17a9b8-47
0.186
MAR-TRE-fd17a9b8-100
0.186
MAR-TRE-e86a56b5-41
0.186
MAK-UNK-0955449e-28
0.186
MAR-TRE-2fd8122f-58
0.186
WIL-UNI-1faa9b10-33
0.186
MAR-TRE-f5c2d31c-73
0.185
MAK-UNK-de9577cf-20
0.185