Molecular Properties | |
SMILES: | CS(=O)(=O)NCCN1CCCc2ccc(S(N)(=O)=O)cc21 |
MW: | 333.435 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 109.57 |
cLogP: | -0.364199999999998 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine REAL: | Z1317949519 |
Enamine Extended REAL: | s_2230____7463156____4117666 |
Order Status | |
Ordered: | 2020-03-31 |
Synthesis Location: | enamine |
Shipped: | 2020-05-20 |
Dye 22
Hetero_hetero
PET-SGC-abcbce68-1
0.790
MAK-UNK-0b1cbb06-3
0.700
PET-SGC-616b7348-1
0.608
MAK-UNK-0b1cbb06-4
0.607
PET-SGC-6a1b02a9-1
0.594
PET-SGC-908c18f3-1
0.554
PET-SGC-c4a91520-1
0.553
PAU-UNI-2d648ace-1
0.537
PET-SGC-59809fea-1
0.529
AAR-POS-d2a4d1df-4
0.516
MAK-UNK-0b1cbb06-2
0.500
NAU-LAT-42d4957e-2
0.500
NAU-LAT-42d4957e-4
0.500
PET-SGC-05cff2e1-1
0.494
MAK-UNK-10799360-30
0.477
PET-SGC-fc67af9f-1
0.474
NAU-LAT-42d4957e-5
0.467
PAU-UNI-f4334617-1
0.467
MAK-UNK-10799360-15
0.462
TAM-UNI-c140e31a-6
0.447
PET-SGC-210d4c30-1
0.439
PET-SGC-f913cec9-1
0.424
PET-SGC-f913cec9-2
0.412
WIL-WAB-1289c0dd-2
0.411
PET-SGC-481b48b7-1
0.383
NAU-LAT-42d4957e-3
0.383
DAR-DIA-37454fd7-1
0.382
JAR-IMP-ed466bb3-6
0.374
MAK-UNK-9a6be56d-2
0.373
DAR-DIA-37454fd7-2
0.371
DAR-DIA-37454fd7-3
0.358
HEI-REL-0c990a45-1
0.357
SIM-DEM-5935bd74-7
0.355
MAK-UNK-0b1cbb06-1
0.353
MAK-UNK-9a6be56d-1
0.351
JOK-SYG-6ec557d2-1
0.348
JOK-SYG-ac99ed27-1
0.345
MAK-UNK-0b1cbb06-5
0.338
HAR-NEW-e34cb1ae-5
0.333
TAM-UNI-c140e31a-4
0.327
ASH-SAT-43770c7d-2
0.326
HAR-NEW-e34cb1ae-6
0.326
MAK-UNK-9a6be56d-15
0.313
TAM-UNI-c140e31a-12
0.312
IND-SYN-8f867502-2
0.311
SIM-DEM-5935bd74-2
0.308
IND-SYN-8f867502-3
0.307
IND-SYN-058869ff-1
0.307
PET-SGC-85e821e4-1
0.304
IND-SYN-8f867502-1
0.303
MAK-UNK-9a6be56d-18
0.301
MAK-UNK-9a6be56d-19
0.299
MAK-UNK-9a6be56d-24
0.298
MAK-UNK-9a6be56d-17
0.296
HEI-REL-0c990a45-3
0.295
TAM-UNI-c140e31a-17
0.294
SIM-DEM-5935bd74-5
0.294
MAK-UNK-9a6be56d-11
0.293
MAK-UNK-9a6be56d-22
0.293
MAK-UNK-9a6be56d-23
0.293
PET-SGC-85e821e4-2
0.293
SIM-DEM-5935bd74-1
0.293
MAK-UNK-9a6be56d-14
0.291
MAK-UNK-9a6be56d-16
0.291
JAC-UNI-14c2e728-1
0.289
MAK-UNK-9a6be56d-21
0.288
MAK-UNK-9a6be56d-10
0.287
MAK-UNK-9a6be56d-12
0.287
HEI-REL-0c990a45-2
0.284
HEI-REL-0c990a45-6
0.283
TAM-UNI-c140e31a-14
0.281
STE-NAN-bafe64f0-1
0.280
MAR-TRE-6a44bbf2-33
0.278
SAD-SAT-5b1897b2-7
0.278
MAK-UNK-9a6be56d-9
0.274
ASH-UNK-40b46b30-6
0.273
MAK-UNK-9a6be56d-8
0.271
HAR-NEW-e34cb1ae-4
0.271
MAK-UNK-27459e11-10
0.269
STE-NAN-bafe64f0-3
0.268
MAK-UNK-53da93bf-3
0.267
TAM-UNI-c140e31a-1
0.263
DAN-RED-da448e80-7
0.260
MAK-UNK-53da93bf-2
0.259
ANT-DIA-b7f58f21-2
0.257
HAR-NEW-e34cb1ae-3
0.254
STU-CHA-83dacf15-1
0.253
STU-CHA-83dacf15-2
0.250
TAM-UNI-c140e31a-13
0.250
MAK-UNK-9a6be56d-5
0.250
MAK-UNK-9a6be56d-6
0.248
TAM-UNI-c140e31a-8
0.248
DAN-RED-da448e80-11
0.248
WIL-LEE-23e8b574-7
0.244
TAM-UNI-c140e31a-9
0.243
JAR-IMP-ed466bb3-1
0.243
DAN-RED-da448e80-15
0.243
STU-CHA-83dacf15-3
0.242
MAR-TRE-6a44bbf2-46
0.241
WAR-XCH-b6889685-23
0.241