Molecular Properties | |
SMILES: | O=C(CCl)Nc1ccsc1 |
MW: | 174.99 |
Fraction sp3: | 0.17 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 29.1 |
cLogP: | 1.93 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Source | |
Mcule: | MCULE-7699272104 |
MolPort: | MolPort-024-983-606 |
AAR-POS-0daf6b7e-20
SAD-SAT-6b5a89f0-8
0.450
MAR-TRE-6a44bbf2-88
0.391
MAK-UNK-ca11b4f7-1
0.391
MAK-UNK-212f693e-13
0.382
MAK-UNK-e4a48a85-1
0.377
DAR-DIA-842b4336-24
0.377
DAR-DIA-842b4336-1
0.365
MAK-UNK-acefcb18-13
0.356
MAK-UNK-72659d64-3
0.354
MAR-TRE-6a44bbf2-17
0.352
MAK-UNK-212f693e-14
0.346
YOI-UNK-4c10088f-1
0.340
MAR-TRE-6a44bbf2-74
0.340
MAR-TRE-6a44bbf2-90
0.340
MAK-UNK-212f693e-20
0.333
MAK-UNK-212f693e-5
0.333
MAR-TRE-6a44bbf2-93
0.327
MAR-TRE-6a44bbf2-89
0.321
AAR-POS-0daf6b7e-20
0.320
SAD-SAT-6b5a89f0-1
0.319
MAK-UNK-212f693e-33
0.316
DAR-DIA-842b4336-10
0.316
MAK-UNK-212f693e-19
0.316
MAK-UNK-e4a48a85-2
0.309
MAR-TRE-6a44bbf2-84
0.305
LAU-FAC-e2c8b4ad-1
0.303
AAR-POS-d2a4d1df-38
0.302
MAT-POS-ee51dedd-2
0.298
MAK-UNK-6ca90168-20
0.296
MAR-TRE-6a44bbf2-35
0.295
AAR-POS-0daf6b7e-11
0.295
MAK-UNK-7a704a63-10
0.295
LON-WEI-8f408cad-1
0.295
NIM-UNI-7ba87d62-4
0.293
IND-SYN-6c8299e8-9
0.292
RAF-SAT-b3ff87a1-4
0.291
MAR-TRE-6a44bbf2-16
0.291
AHN-SAT-de2502ba-6
0.290
MAR-TRE-6a44bbf2-43
0.290
SWA-SYN-6423ea73-9
0.290
IND-SYN-6c8299e8-8
0.290
SWA-SYN-d2e6fa14-10
0.290
MAR-TRE-6a44bbf2-95
0.290
MAK-UNK-6ca90168-26
0.288
MAK-UNK-212f693e-8
0.286
AAR-POS-0daf6b7e-13
0.286
LON-WEI-8f408cad-7
0.286
WAR-XCH-bdd24732-24
0.284
AHN-SAT-de2502ba-5
0.281
SAD-SAT-65574d3f-4
0.280
MAR-TRE-6a44bbf2-48
0.280
MAK-UNK-72659d64-10
0.280
MAK-UNK-212f693e-16
0.278
MAK-UNK-72659d64-1
0.278
MAR-TRE-6a44bbf2-100
0.277
AHN-SAT-de2502ba-4
0.277
MAK-UNK-212f693e-9
0.276
SAD-SAT-65574d3f-3
0.275
MAK-UNK-f983951f-13
0.275
MAR-TRE-6a44bbf2-83
0.273
AHN-SAT-de2502ba-13
0.273
MED-COV-4280ac29-10
0.273
MAR-TRE-6a44bbf2-51
0.273
MAK-UNK-7732b35b-25
0.273
MAK-UNK-212f693e-32
0.271
NIR-THE-99f25457-4
0.269
MAK-UNK-987948f6-7
0.269
GIA-UNK-3f36037a-4
0.268
MAK-UNK-6ca90168-29
0.268
PRO-INS-c91ddbbd-1
0.267
MAK-UNK-212f693e-10
0.267
MAR-TRE-6a44bbf2-57
0.266
MAK-UNK-ed378e62-35
0.264
DAN-MCD-a37c31cb-1
0.263
DAN-MCD-e5161b06-1
0.263
MAR-TRE-6a44bbf2-85
0.263
DAN-MCD-68a9aade-1
0.263
MAR-TRE-6a44bbf2-42
0.261
MAR-TRE-6a44bbf2-69
0.261
MAR-TRE-6a44bbf2-96
0.261
MAK-UNK-6435e6c2-3
0.259
MAK-UNK-f983951f-5
0.259
MAK-UNK-ed378e62-24
0.259
MAR-TRE-6a44bbf2-60
0.259
MIH-UNI-6b9ca91a-1
0.258
MAR-TRE-6a44bbf2-10
0.257
MAK-UNK-987948f6-6
0.257
MAR-TRE-6a44bbf2-19
0.257
DAN-MCD-c163c0bb-1
0.256
MAK-UNK-212f693e-6
0.255
MAR-TRE-e86a56b5-45
0.255
MAK-UNK-f983951f-22
0.255
MAK-UNK-3f402c2b-22
0.254
MAK-UNK-212f693e-11
0.254
MAK-UNK-acefcb18-8
0.254
DAV-CRI-3edb475e-2
0.250
AAR-POS-0daf6b7e-10
0.250
MAK-UNK-212f693e-17
0.250
AAR-POS-d2a4d1df-26
0.250
DAV-CRI-3edb475e-4
0.250