Molecular Properties | |
SMILES: | O=C(CCl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 |
MW: | 318.04 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 75.71 |
cLogP: | 0.88 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-01619 |
Enamine SCR: | Z56896307 |
Enamine REAL: | Z56896307 |
Enamine Extended REAL: | m_270062____7594812____8147258 |
Mcule: | MCULE-6680786787 |
MolPort: | MolPort-002-462-840 |
Dye 22
Hetero_hetero
VIR-GIT-7b3d3065-2
MAR-TRE-6a44bbf2-100
1.000
AHN-SAT-de2502ba-6
0.746
MAR-TRE-6a44bbf2-43
0.746
AHN-SAT-de2502ba-5
0.721
IND-SYN-6c8299e8-9
0.698
MAR-TRE-799db12b-34
0.592
AHN-SAT-de2502ba-16
0.544
AHN-SAT-de2502ba-9
0.536
AHN-SAT-de2502ba-13
0.529
MAR-TRE-6a44bbf2-83
0.529
MAR-TRE-6a44bbf2-42
0.528
KEI-TRE-d5e2018a-22
0.456
TAT-ENA-80bfd3e5-27
0.444
MAR-TRE-6a44bbf2-10
0.423
MAR-TRE-6a44bbf2-63
0.416
MAR-TRE-6a44bbf2-89
0.406
KEI-TRE-d5e2018a-9
0.400
KEI-TRE-d5e2018a-13
0.400
KEI-TRE-d5e2018a-10
0.398
MAK-UNK-009ebe36-2
0.398
MAK-UNK-7a704a63-10
0.397
AAR-POS-0daf6b7e-11
0.397
LON-WEI-8f408cad-1
0.397
AHN-SAT-de2502ba-12
0.395
SAD-SAT-65574d3f-8
0.395
MAR-TRE-6a44bbf2-20
0.395
MAR-TRE-6a44bbf2-59
0.393
MAK-UNK-69bf97dd-5
0.391
MAR-TRE-4f781e27-67
0.390
KEI-TRE-d5e2018a-61
0.388
AAR-POS-d2a4d1df-38
0.382
AHN-SAT-de2502ba-19
0.378
LON-WEI-8f408cad-4
0.375
BEN-DND-76ad4ac9-6
0.375
MAR-TRE-6a44bbf2-18
0.375
BEN-DND-03406596-10
0.375
AAR-POS-d2a4d1df-23
0.375
MAR-TRE-8190bb11-100
0.373
SWA-SYN-d2e6fa14-10
0.373
IND-SYN-6c8299e8-8
0.373
SWA-SYN-6423ea73-9
0.373
KEI-TRE-d5e2018a-53
0.371
MAR-TRE-3e4e6814-34
0.370
KEI-TRE-d5e2018a-32
0.370
MAR-TRE-6a44bbf2-65
0.368
AHN-SAT-de2502ba-17
0.368
AHN-SAT-de2502ba-18
0.368
MAK-UNK-7c9d1431-11
0.368
TAT-ENA-80bfd3e5-43
0.368
JAN-GHE-1d98ec1c-7
0.367
LON-WEI-b8d98729-4
0.367
DRR-IMP-dff87f5e-8
0.365
KEI-TRE-d5e2018a-52
0.365
MAR-TRE-2fd8122f-15
0.365
AHN-SAT-de2502ba-10
0.364
SAD-SAT-9a6c5cf3-1
0.362
MAR-TRE-a9136c7b-65
0.361
MAR-TRE-67513f76-51
0.360
MAR-TRE-2fd8122f-35
0.359
SAD-SAT-f0a2747f-7
0.356
MAR-TRE-2fd8122f-55
0.348
MAR-TRE-6a44bbf2-74
0.343
TAT-ENA-80bfd3e5-25
0.342
PEI-IMP-ca0b2813-3
0.342
BEN-DND-76ad4ac9-14
0.342
MAK-UNK-7c9d1431-4
0.342
IND-SYN-6c8299e8-2
0.342
BEN-DND-03406596-3
0.342
MAR-TRE-fd17a9b8-62
0.341
MAR-TRE-2fd8122f-94
0.341
MAR-TRE-6a44bbf2-34
0.338
MAR-TRE-a9136c7b-16
0.337
MAK-UNK-1e8f9e3c-3
0.333
MAR-TRE-6a44bbf2-17
0.333
WAR-XCH-bdd24732-24
0.329
SAD-SAT-6b5a89f0-8
0.328
MAR-TRE-6a44bbf2-3
0.321
MED-COV-4280ac29-10
0.321
DAN-MCD-50ec7d1f-1
0.320
MAK-UNK-6435e6c2-5
0.319
MAK-UNK-1e8f9e3c-5
0.318
MAR-TRE-2fd8122f-31
0.318
KEN-MCD-6084b33e-1
0.316
MAR-TRE-a9136c7b-38
0.316
MAR-TRE-6a44bbf2-93
0.315
MAR-TRE-66ac689e-65
0.314
BAR-COM-4e090d3a-66
0.312
MAR-TRE-6a44bbf2-32
0.312
MAK-UNK-7c9d1431-10
0.312
ABB-MCD-f8003a30-1
0.312
MAR-TRE-3e4e6814-92
0.311
GIA-UNK-3f36037a-2
0.311
WIL-UNI-1faa9b10-16
0.310
MAK-UNK-7c9d1431-3
0.309
SAD-SAT-f0a2747f-5
0.309
DRR-IMP-dff87f5e-2
0.309
SAD-SAT-135344c3-1
0.308
JAY-UNK-11f5bdbd-1
0.307
MAR-TRE-6a44bbf2-90
0.306
MAC-MCD-4707377b-1
0.305