Molecular Properties | |
SMILES: | O=C(CCl)Nc1cccc(S(=O)(=O)N2CCCC2)c1 |
MW: | 302.05 |
Fraction sp3: | 0.42 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 66.48 |
cLogP: | 1.65 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-01859 |
Enamine SCR: | Z56896215 |
Enamine REAL: | Z56896215 |
Enamine Extended REAL: | m_270062____7594848____8147258 |
Mcule: | MCULE-4491972156 |
MolPort: | MolPort-002-462-889 |
Dye 22
Hetero_hetero
AHN-SAT-de2502ba-6
1.000
AHN-SAT-de2502ba-5
0.925
AHN-SAT-de2502ba-4
0.746
MAR-TRE-6a44bbf2-100
0.746
IND-SYN-6c8299e8-9
0.733
MAR-TRE-6a44bbf2-89
0.567
AHN-SAT-de2502ba-19
0.523
AHN-SAT-de2502ba-17
0.485
AHN-SAT-de2502ba-18
0.485
MAR-TRE-6a44bbf2-10
0.479
AHN-SAT-de2502ba-10
0.478
LON-WEI-8f408cad-1
0.456
MAK-UNK-7a704a63-10
0.456
AAR-POS-0daf6b7e-11
0.456
MAR-TRE-6a44bbf2-59
0.443
MAR-TRE-799db12b-34
0.429
SWA-SYN-d2e6fa14-10
0.429
IND-SYN-6c8299e8-8
0.429
SWA-SYN-6423ea73-9
0.429
MAK-UNK-009ebe36-2
0.412
BEN-DND-76ad4ac9-6
0.412
AAR-POS-d2a4d1df-38
0.397
MAR-TRE-6a44bbf2-22
0.395
MAK-UNK-7c9d1431-26
0.395
MAK-UNK-69bf97dd-1
0.393
BEN-DND-76ad4ac9-14
0.392
BEN-DND-03406596-3
0.392
MAR-TRE-6a44bbf2-18
0.391
AAR-POS-d2a4d1df-23
0.391
BEN-DND-03406596-10
0.391
LON-WEI-8f408cad-4
0.391
MAR-TRE-6a44bbf2-42
0.390
MAK-UNK-009ebe36-7
0.388
MAR-TRE-6a44bbf2-83
0.387
AHN-SAT-de2502ba-13
0.387
MED-COV-4280ac29-10
0.387
MAR-TRE-6a44bbf2-65
0.384
MAK-UNK-7c9d1431-11
0.384
TAT-ENA-80bfd3e5-43
0.384
LON-WEI-b8d98729-4
0.382
JAN-GHE-1d98ec1c-7
0.382
DRR-IMP-dff87f5e-8
0.380
AHN-SAT-de2502ba-16
0.378
MAK-UNK-1e8f9e3c-3
0.378
AHN-SAT-de2502ba-9
0.373
IND-SYN-6c8299e8-2
0.373
SAD-SAT-1f400d17-2
0.368
MAR-TRE-d0525fbf-45
0.362
MAK-UNK-1e8f9e3c-5
0.361
AHN-SAT-de2502ba-11
0.359
WAR-XCH-bdd24732-24
0.359
MAK-UNK-7c9d1431-4
0.355
PEI-IMP-ca0b2813-3
0.355
TAT-ENA-80bfd3e5-25
0.355
DAN-MCD-50ec7d1f-1
0.352
MAR-TRE-3e4e6814-80
0.351
MAC-MCD-4707377b-1
0.351
MAR-TRE-6a44bbf2-30
0.347
AHN-SAT-de2502ba-2
0.347
KEN-MCD-6084b33e-1
0.347
SAD-SAT-6b5a89f0-8
0.345
MAR-TRE-6a44bbf2-90
0.338
SAD-SAT-135344c3-2
0.337
TAT-ENA-80bfd3e5-48
0.333
MAR-TRE-6a44bbf2-3
0.333
MAK-UNK-7c9d1431-5
0.333
MAK-UNK-6435e6c2-5
0.333
MAR-TRE-6a44bbf2-31
0.333
MAK-UNK-1e8f9e3c-4
0.330
MAR-TRE-6a44bbf2-17
0.329
MAR-TRE-6a44bbf2-93
0.329
MAR-TRE-fd17a9b8-56
0.326
TAT-ENA-80bfd3e5-27
0.326
MAR-TRE-66ac689e-65
0.325
MAR-TRE-6a44bbf2-32
0.324
ABB-MCD-f8003a30-1
0.324
MAK-UNK-7c9d1431-10
0.324
SAD-SAT-2fd372d1-3
0.324
CLI-UNI-032f7715-4
0.323
MAK-UNK-1e8f9e3c-6
0.322
WIL-UNI-1faa9b10-16
0.321
MAK-UNK-7a704a63-9
0.320
JAY-UNK-11f5bdbd-1
0.319
MAR-TRE-6a44bbf2-74
0.319
KEI-TRE-d5e2018a-22
0.318
MAR-TRE-66ac689e-76
0.317
MAK-UNK-7c9d1431-7
0.316
MAR-TRE-6a44bbf2-49
0.316
DAN-MCD-5c762fbe-1
0.315
BEN-DND-03ad4429-3
0.315
BEN-DND-03ad4429-2
0.315
MAK-UNK-10dfa458-5
0.315
MAK-UNK-7c9d1431-9
0.314
MAR-TRE-6a44bbf2-21
0.314
SAD-SAT-135344c3-3
0.314
MAK-UNK-ca11b4f7-1
0.312
MAR-TRE-6a44bbf2-84
0.311
MAK-UNK-7c9d1431-8
0.311
MAK-UNK-10dfa458-29
0.311
MAR-TRE-6a44bbf2-26
0.311