Molecular Properties | |
SMILES: | O=S(=O)(NCCc1ccncc1)c1ccccc1F |
MW: | 280.324 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 59.06 |
cLogP: | 1.7417 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1429481692 |
Enamine Extended REAL: | s_40____7119450____79355 |
Mcule Ultimate: | BJSAOTYSMBVOPO-UHFFFAOYSA-N |
MolPort: | MolPort-014-431-603 |
Activated haloaromatics
Hetero_hetero
AAR-POS-d2a4d1df-11
AAR-POS-d2a4d1df-10
0.468
WIL-UNI-1faa9b10-19
0.397
MAR-TRE-f5c2d31c-43
0.378
WIL-UNI-1faa9b10-27
0.371
MAK-UNK-07311286-2
0.329
MAK-UNK-07311286-1
0.329
MIH-UNI-6b9ca91a-6
0.328
MAK-UNK-b2c98f02-2
0.315
DUN-NEW-f8ce3686-23
0.310
AAR-POS-d2a4d1df-1
0.305
SUG-SAT-4be79373-1
0.302
ANT-DIA-b7f58f21-1
0.297
AAR-POS-d2a4d1df-12
0.292
MAK-UNK-8145c7a0-2
0.289
MAK-UNK-27459e11-4
0.281
MAK-UNK-8145c7a0-5
0.281
MAK-UNK-31051d4e-3
0.276
AAR-POS-d2a4d1df-34
0.274
MAR-TRE-6a44bbf2-8
0.274
DRR-IMP-dff87f5e-5
0.274
MAK-UNK-b2c98f02-4
0.272
MAK-UNK-27459e11-3
0.269
JAR-KUA-41bd5a3d-16
0.268
ANT-DIA-b7f58f21-3
0.266
MAK-UNK-27459e11-1
0.265
SUG-SAT-4be79373-5
0.264
MAK-UNK-b2c98f02-1
0.264
IND-SYN-8bc6954a-1
0.263
SUG-SAT-4be79373-3
0.261
MAK-UNK-27459e11-2
0.261
SUG-SAT-4be79373-2
0.259
MAK-UNK-0955449e-1
0.256
BAR-COM-4e090d3a-10
0.255
ERI-BAS-962ecb40-1
0.255
MAR-TRE-a3327163-73
0.254
MAR-TRE-e82e6c98-54
0.253
BEN-DND-76ad4ac9-11
0.253
BEN-DND-03406596-9
0.253
PET-SGC-2e937068-1
0.253
MAK-UNK-b2c98f02-3
0.253
MAR-TRE-4f781e27-39
0.250
BEN-DND-93268d01-7
0.250
MAK-UNK-3f402c2b-11
0.250
MAK-UNK-b2c98f02-8
0.247
MAK-UNK-b2c98f02-6
0.244
KEI-TRE-d5e2018a-43
0.244
SAD-SAT-9a6c5cf3-10
0.244
MAK-UNK-c44f4be0-1
0.242
MAK-UNK-c44f4be0-2
0.242
MAK-UNK-27459e11-16
0.242
HUB-UNK-9845d277-13
0.241
MAR-TRE-c8530538-90
0.241
ASH-UNK-40b46b30-4
0.240
MAR-TRE-d0525fbf-47
0.240
MAK-UNK-27459e11-9
0.239
MAK-UNK-2c1752f0-5
0.238
MAR-TRE-8190bb11-15
0.237
MAK-UNK-b2c98f02-5
0.237
MAK-UNK-b2c98f02-9
0.237
MAK-UNK-8145c7a0-1
0.237
MAK-UNK-31051d4e-1
0.236
MAK-UNK-148caf23-15
0.236
ANT-DIA-b7f58f21-2
0.235
WAR-XCH-bdd24732-36
0.235
DOU-UNK-b5326f8f-2
0.235
WAR-XCH-bdd24732-40
0.235
MAK-UNK-8145c7a0-6
0.234
MAK-UNK-31051d4e-2
0.233
SUG-SAT-4be79373-4
0.233
WAR-XCH-bdd24732-8
0.232
MAR-TRE-66ac689e-50
0.232
MAK-UNK-b2c98f02-7
0.232
MAK-UNK-8145c7a0-7
0.232
MAR-TRE-2fd8122f-65
0.230
NAU-LAT-445f63e5-1
0.230
MAK-UNK-8145c7a0-4
0.229
WIL-UNI-1faa9b10-22
0.229
MAR-TRE-8190bb11-95
0.229
ALP-POS-95b75b4d-7
0.229
MAR-TRE-f5c2d31c-8
0.228
MAT-POS-b5746674-31
0.227
MAR-TRE-85681e92-79
0.227
BEN-DND-1e24cf73-5
0.227
WAR-XCH-bdd24732-37
0.226
MAR-TRE-799db12b-97
0.225
MAR-TRE-f5c2d31c-50
0.225
SIM-DEM-f31d0e65-1
0.224
JIN-POS-6dc588a4-13
0.224
MAK-UNK-8145c7a0-3
0.223
JUA-UNI-b93289a4-3
0.222
MAR-TRE-9d18ae8c-25
0.222
ANT-DIA-b7f58f21-4
0.222
RAL-THA-2d450e86-37
0.222
RUB-POS-1325a9ea-2
0.221
MIC-UNK-50cce87d-1
0.221
DAR-DIA-0cde14eb-2
0.221
MAR-TRE-92684b97-21
0.221
WAR-XCH-bdd24732-38
0.220
PET-UNK-7fb4f80a-3
0.219
JON-UIO-d041ac75-14
0.219