Molecular Properties | |
SMILES: | O=S(=O)(NC1(Cc2ccccc2)CCOCC1)c1cccnc1 |
MW: | 332.12 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 68.29 |
cLogP: | 2.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z2279774120 |
Enamine Extended REAL: | s_40____10857380____8900098 |
Mcule: | MCULE-4842237923 |
MolPort: | MolPort-047-556-129 |
Order Status | |
Ordered: | 2020-05-30 |
Synthesis Location: | enamine |
Shipped: | 2020-06-30 |
Hetero_hetero
AAR-POS-d2a4d1df-11
NAU-LAT-445f63e5-6
0.494
SCO-CSI-e30c12ee-1
0.370
CHR-SOS-59746812-1
0.341
CHR-SOS-59746812-5
0.337
MAR-TRE-fd17a9b8-62
0.330
PEI-IMP-ca0b2813-1
0.304
MAK-UNK-b2c98f02-6
0.298
ANT-OPE-a517596a-1
0.295
NAU-LAT-445f63e5-1
0.295
KEI-TRE-d5e2018a-52
0.293
MAR-TRE-4b834d9a-57
0.293
SAN-PRS-52b81272-2
0.293
KEI-TRE-d5e2018a-22
0.283
MAR-TRE-04c86cea-97
0.282
KEI-TRE-d5e2018a-32
0.281
MAR-TRE-3e4e6814-34
0.281
MAK-UNK-0955449e-32
0.280
ANT-DIA-b7f58f21-1
0.274
KEI-TRE-d5e2018a-61
0.274
MAK-UNK-0955449e-33
0.273
NAU-LAT-64f4b287-9
0.273
MAR-TRE-7f7bb9f0-81
0.272
SIM-SYN-a98e6a07-1
0.270
MAT-POS-b5746674-31
0.269
MAK-UNK-009ebe36-8
0.266
KEI-TRE-d5e2018a-10
0.266
MIC-SGC-657978c3-7
0.264
MAK-UNK-b2c98f02-5
0.263
MAK-UNK-b2c98f02-9
0.263
AGN-NEW-891393a6-9
0.258
CHA-MCP-85291e1d-4
0.258
SAD-SAT-135344c3-1
0.258
KEI-TRE-d5e2018a-9
0.258
KEI-TRE-d5e2018a-13
0.258
MAK-UNK-b2c98f02-7
0.257
MAR-TRE-2fd8122f-55
0.257
KAY-MCD-59dc2eb3-1
0.257
GIA-UNK-3f36037a-6
0.256
RAF-POL-950dada1-18
0.256
MIC-SGC-657978c3-5
0.256
CHR-SOS-70e4c98a-5
0.255
KEI-TRE-d5e2018a-36
0.255
MAK-UNK-009ebe36-4
0.255
DRA-CSI-47e38074-11
0.253
IAN-BAS-5ff43d1c-1
0.253
MAR-TRE-2fd8122f-31
0.253
MAR-TRE-2fd8122f-15
0.253
SAD-SAT-7d5528d9-4
0.253
MAK-UNK-8fdbca50-32
0.252
CHR-SOS-70e4c98a-11
0.250
KEI-TRE-d5e2018a-53
0.250
NAU-LAT-445f63e5-4
0.250
CHR-SOS-f7373dd1-1
0.250
KEI-TRE-d5e2018a-28
0.250
MAR-TRE-f6f5f473-29
0.250
SAD-SAT-7d5528d9-5
0.250
MAR-TRE-67513f76-51
0.250
MAR-TRE-d0525fbf-90
0.250
MAR-TRE-b77b7921-85
0.250
CHR-SOS-70e4c98a-2
0.247
MAR-TRE-2fd8122f-17
0.247
MAR-TRE-2fd8122f-94
0.247
ADA-UNI-f8e79267-3
0.247
SAD-SAT-7d5528d9-17
0.247
CHR-SOS-70e4c98a-3
0.247
BEN-DND-362d364a-12
0.247
DRE-WAB-ae4a693c-1
0.247
PET-SGC-b0f8bd49-1
0.247
PET-SGC-d0156db4-1
0.247
WIL-UNI-5578df48-8
0.247
BEN-BAS-edf2ae6d-1
0.245
SAD-SAT-135344c3-2
0.245
MAR-TRE-04c86cea-46
0.245
NIM-UNI-bb9030bf-1
0.244
MIC-SGC-657978c3-1
0.244
MAR-TRE-66ac689e-43
0.244
CHR-SOS-70e4c98a-6
0.244
MAK-UNK-07311286-2
0.244
MAK-UNK-8fdbca50-38
0.244
SAN-PRS-52b81272-3
0.244
MAK-UNK-148caf23-9
0.243
NIM-UNI-b87c0f72-3
0.243
NIM-UNI-b87c0f72-4
0.243
CHR-SOS-70e4c98a-4
0.242
CHR-SOS-70e4c98a-1
0.242
MAK-UNK-148caf23-8
0.241
CHR-SOS-f7373dd1-4
0.241
MAR-TRE-74c6519b-47
0.241
CHR-SOS-59746812-2
0.241
WIL-UNI-5578df48-3
0.241
MAK-UNK-148caf23-11
0.241
MAK-UNK-de9577cf-4
0.241
SAN-PRI-c9355cc8-2
0.241
KEI-TRE-d5e2018a-46
0.240
NIM-UNI-310206f0-27
0.240
MAK-UNK-009ebe36-7
0.240
CHR-SOS-70e4c98a-7
0.240
MAR-TRE-fd17a9b8-90
0.240
MAR-TRE-f5c2d31c-79
0.240
ADA-UNI-f8e79267-2
0.239