Molecular Properties | |
SMILES: | NS(=O)(=O)c1ccc2c(c1)N(CCCCC1CCCN(C(=O)CCl)C1)CCC2 |
MW: | 427.998 |
Fraction sp3: | 0.65 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 83.71 |
cLogP: | 2.7343 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Order Status | |
Ordered: | 2020-04-17 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Aliphatic long chain
Dye 22
AAR-POS-d2a4d1df-30
MAK-UNK-10799360-15
0.582
PAU-UNI-2d648ace-1
0.576
PET-SGC-6a1b02a9-1
0.553
MAK-UNK-10799360-30
0.535
PET-SGC-abcbce68-1
0.511
MAK-UNK-0b1cbb06-3
0.494
PET-SGC-616b7348-1
0.484
PET-SGC-908c18f3-1
0.473
DUN-NEW-f8ce3686-14
0.467
PET-SGC-210d4c30-1
0.455
MAK-UNK-0b1cbb06-4
0.446
PET-SGC-59809fea-1
0.421
PET-SGC-f913cec9-2
0.419
PET-SGC-c4a91520-1
0.414
NAU-LAT-42d4957e-2
0.410
PET-SGC-05cff2e1-1
0.407
MAK-UNK-0b1cbb06-2
0.406
PET-SGC-f913cec9-1
0.405
NAU-LAT-42d4957e-5
0.402
JAR-IMP-ed466bb3-6
0.386
PET-SGC-fc67af9f-1
0.385
DAR-DIA-37454fd7-1
0.381
TAM-UNI-c140e31a-6
0.381
HAR-NEW-e34cb1ae-5
0.379
JOK-SYG-6ec557d2-1
0.379
NAU-LAT-42d4957e-4
0.374
AAR-POS-d2a4d1df-4
0.368
NAU-LAT-42d4957e-3
0.354
DAR-DIA-37454fd7-2
0.350
WIL-WAB-1289c0dd-2
0.345
STU-CHA-83dacf15-1
0.343
PET-SGC-481b48b7-1
0.340
JOK-SYG-ac99ed27-1
0.337
DAR-DIA-37454fd7-3
0.328
HEI-REL-0c990a45-1
0.320
MAK-UNK-0b1cbb06-5
0.316
STU-CHA-7e77017b-1
0.309
SAD-SAT-5b1897b2-7
0.309
MAR-TRE-6a44bbf2-33
0.309
HAR-NEW-e34cb1ae-6
0.308
TAM-UNI-c140e31a-4
0.299
MAK-UNK-9a6be56d-2
0.291
NIR-THE-0d6461ce-4
0.290
PED-UNI-d0b586b3-1
0.287
HEI-REL-0c990a45-6
0.284
HAR-NEW-972ef1cc-1
0.284
MAK-UNK-9a6be56d-1
0.284
TAM-UNI-c140e31a-17
0.283
STU-CHA-83dacf15-3
0.283
NIR-THE-c331be7a-5
0.278
TAM-UNI-d1c3dd9f-3
0.278
MIH-UNI-e573136b-12
0.278
NIR-THE-0d6461ce-5
0.278
DAV-CRI-3fe943ba-2
0.276
PED-UNI-89deb5c9-1
0.275
SAD-SAT-9a6c5cf3-6
0.274
TAM-UNI-c140e31a-12
0.274
SAD-SAT-c989feaa-9
0.274
SAD-SAT-f2e2579e-5
0.274
HEI-REL-0c990a45-2
0.274
ASH-SAT-43770c7d-2
0.273
HEI-REL-0c990a45-3
0.271
SAD-SAT-65574d3f-6
0.270
MAK-UNK-90d0606b-6
0.270
HAR-NEW-e34cb1ae-3
0.269
MAK-UNK-9a6be56d-10
0.269
STU-CHA-83dacf15-2
0.268
MAK-UNK-6c8f5f75-2
0.267
YOI-UNK-15f562e8-3
0.267
IND-SYN-6c8299e8-1
0.267
HAR-NEW-972ef1cc-2
0.266
MAK-UNK-987948f6-15
0.265
SEA-TRI-f744d433-1
0.265
PET-SGC-ae7b447e-1
0.264
TAM-UNI-c140e31a-8
0.264
AAR-POS-d2a4d1df-30
0.264
TAT-ENA-80bfd3e5-13
0.264
HAR-NEW-e34cb1ae-4
0.264
STU-CHA-814c6126-1
0.261
DAR-DIA-caba39e3-10
0.260
MAK-UNK-7c9d1431-5
0.260
MAR-TRE-6a44bbf2-31
0.260
MAK-UNK-7c9d1431-7
0.260
MAR-TRE-6a44bbf2-49
0.260
MIH-UNI-e573136b-4
0.257
MAK-UNK-0b1cbb06-1
0.257
STU-CHA-09bcc2f6-1
0.257
DAV-CRI-3fe943ba-1
0.256
SAD-SAT-581007d4-4
0.255
STE-KUL-2e0d2e88-5
0.255
SEL-UNI-cd366922-7
0.252
DAR-DIA-fb20be43-9
0.252
DAR-DIA-fb20be43-12
0.252
MAK-UNK-69bf97dd-4
0.252
JAR-IMP-ed466bb3-1
0.250
MAR-TRE-6a44bbf2-46
0.250
STE-NAN-bafe64f0-1
0.250
SAL-INS-1ea6d4ee-4
0.250
TAM-UNI-c140e31a-14
0.250
SAD-SAT-89668ff1-4
0.250