Molecular Properties | |
SMILES: | O=C(CCl)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 |
MW: | 343.08 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 87.63 |
cLogP: | 2.11 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3992251005 |
MolPort: | MolPort-044-387-571 |
imine
Dye 22
MAR-TRE-6a44bbf2-10
0.848
MAR-TRE-6a44bbf2-19
0.649
AHN-SAT-de2502ba-5
0.450
MAR-TRE-6a44bbf2-43
0.443
AHN-SAT-de2502ba-6
0.443
IND-SYN-6c8299e8-9
0.405
AHN-SAT-de2502ba-4
0.393
MAR-TRE-6a44bbf2-100
0.393
MAK-UNK-7a704a63-10
0.361
AAR-POS-0daf6b7e-11
0.361
LON-WEI-8f408cad-1
0.361
WAR-XCH-bdd24732-24
0.333
MED-COV-4280ac29-10
0.326
MAK-UNK-1e8f9e3c-3
0.323
SWA-SYN-d2e6fa14-10
0.310
IND-SYN-6c8299e8-8
0.310
SWA-SYN-6423ea73-9
0.310
MAR-TRE-66ac689e-65
0.305
AAR-POS-d2a4d1df-38
0.303
MAK-UNK-1e8f9e3c-5
0.296
SAD-SAT-6b5a89f0-8
0.296
MAR-TRE-6a44bbf2-17
0.289
MAR-TRE-6a44bbf2-89
0.286
MAK-UNK-1e8f9e3c-4
0.284
MAR-TRE-66ac689e-76
0.284
JAN-GHE-1d98ec1c-7
0.280
LON-WEI-b8d98729-4
0.280
MAR-TRE-6a44bbf2-93
0.274
WIL-UNI-1faa9b10-16
0.274
MAK-UNK-ca11b4f7-1
0.273
MAR-TRE-6a44bbf2-35
0.270
MAR-TRE-6a44bbf2-90
0.265
MAR-TRE-6a44bbf2-74
0.265
MAK-UNK-1e8f9e3c-6
0.265
MAR-TRE-6a44bbf2-84
0.261
MAR-TRE-799db12b-37
0.260
MAR-TRE-66ac689e-10
0.257
MAK-UNK-7a704a63-9
0.256
MAR-TRE-6a44bbf2-83
0.255
AHN-SAT-de2502ba-13
0.255
MAR-TRE-6a44bbf2-95
0.253
MIC-UNK-66895286-3
0.253
AHN-SAT-de2502ba-17
0.250
AHN-SAT-de2502ba-18
0.250
MAR-TRE-799db12b-25
0.250
MAR-TRE-6a44bbf2-42
0.247
MAK-UNK-c8c8f7e2-18
0.247
MIC-UNK-4c7b8ba7-1
0.247
AHN-SAT-de2502ba-10
0.247
MAR-TRE-9d18ae8c-82
0.245
MAR-TRE-2fd8122f-2
0.245
SAD-SAT-24589cd1-2
0.245
AAR-UNI-c25c2f1e-3
0.242
RAL-MED-2de63afb-3
0.242
AHN-SAT-de2502ba-19
0.242
MAR-TRE-6a44bbf2-88
0.241
MAR-TRE-9d18ae8c-16
0.240
LON-WEI-120e5cf5-2
0.240
RAL-MED-2de63afb-13
0.240
MAR-TRE-799db12b-86
0.240
RAL-MED-2de63afb-8
0.240
MAR-TRE-6a44bbf2-11
0.240
DAN-MCD-02570321-1
0.239
JAN-GHE-5a013bed-9
0.239
CHR-SOS-e960e883-1
0.238
WIL-UNI-1faa9b10-35
0.238
MAR-TRE-3e4e6814-62
0.237
SAD-SAT-6b5a89f0-10
0.237
DAR-DIA-23aa0b97-4
0.237
MAK-UNK-c8c8f7e2-25
0.237
GIA-UNK-3f36037a-4
0.235
MAR-TRE-6a44bbf2-16
0.235
ADA-UCB-b1b30a00-3
0.235
MAR-TRE-9d18ae8c-77
0.235
CHR-SOS-e960e883-3
0.235
RAL-MED-2de63afb-7
0.235
MIC-UNK-42806bd5-1
0.233
ALP-POS-90e38439-2
0.233
MAT-POS-500ca5bf-2
0.233
EDG-MED-0da5ad92-2
0.233
MAR-TRE-9d18ae8c-34
0.233
YOI-UNK-4c10088f-1
0.232
CHA-MCP-85291e1d-2
0.232
CHR-SOS-70e4c98a-12
0.231
CHR-SOS-e960e883-2
0.231
JIN-POS-6dc588a4-20
0.231
MIC-UNK-66895286-2
0.231
MAT-POS-14ad9fe9-1
0.231
MAR-TRE-66ac689e-25
0.230
BAR-COM-4e090d3a-39
0.230
BEN-DND-61647d40-14
0.230
WIL-UNI-1faa9b10-11
0.230
MAT-POS-199e2e7c-2
0.230
MIC-UNK-d935700b-2
0.230
MAK-UNK-9159f8ed-5
0.229
MAR-TRE-6a44bbf2-3
0.229
MAR-TRE-2fd8122f-17
0.229
CHR-SOS-70e4c98a-9
0.229
MAK-UNK-10dfa458-3
0.228
EDJ-MED-49816e9b-2
0.228