Molecular Properties | |
SMILES: | Cc1ccc(CC(=O)NCCCc2ccsc2)cc1 |
MW: | 273.401 |
Fraction sp3: | 0.31 |
HBA: | 2 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 29.1 |
cLogP: | 3.34802 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z3091787313 |
Enamine Extended REAL: | s_22____13903744____123958 |
Aliphatic long chain
AAR-POS-d2a4d1df-7
NEL-UNI-1464a899-7
0.460
NEL-UNI-1464a899-2
0.444
NEL-UNI-1464a899-6
0.348
NEL-UNI-1464a899-5
0.333
NEL-UNI-1464a899-1
0.324
NEL-UNI-1464a899-8
0.315
NEL-UNI-1464a899-4
0.309
JAN-GHE-83b26c96-11
0.306
LON-WEI-5e7d1b3e-31
0.302
MAT-POS-2492181e-5
0.302
LON-WEI-4d77710c-31
0.302
MIH-UNI-6b9ca91a-1
0.293
MAK-UNK-acefcb18-31
0.292
NEL-UNI-1464a899-3
0.288
MAK-UNK-e4a48a85-25
0.287
RAL-THA-2d450e86-3
0.278
MAK-UNK-acefcb18-3
0.278
THO-SYG-98fc3427-9
0.272
MAK-UNK-212f693e-17
0.271
DAR-DIA-842b4336-10
0.270
MAK-UNK-5e88aa6a-1
0.264
MAK-UNK-acefcb18-1
0.263
ALP-POS-bad7201a-9
0.263
MAK-UNK-6435e6c2-3
0.261
MAR-TRE-4f781e27-85
0.260
MAK-UNK-acefcb18-15
0.259
MAK-UNK-194150d3-10
0.257
MAK-UNK-212f693e-16
0.257
MAR-TRE-4f781e27-12
0.256
THO-SYG-98fc3427-11
0.255
SAD-SAT-6b5a89f0-10
0.254
MAR-UCB-195bc32d-14
0.253
MAK-UNK-212f693e-7
0.250
MAR-TRE-423310b6-10
0.247
MAK-UNK-af83ef51-13
0.247
LON-WEI-8f408cad-7
0.247
AAR-POS-0daf6b7e-13
0.247
MAK-UNK-212f693e-15
0.247
MAK-UNK-212f693e-8
0.247
MAR-TRE-3e4e6814-17
0.245
MAT-POS-b5746674-21
0.242
RUT-UNI-630c5802-23
0.240
MAK-UNK-212f693e-35
0.240
MAK-UNK-212f693e-34
0.240
MAK-UNK-212f693e-6
0.239
MAR-TRE-6a44bbf2-48
0.239
SAD-SAT-65574d3f-4
0.239
MAT-POS-b5746674-59
0.239
MAR-TRE-f6f5f473-93
0.238
RUT-UNI-630c5802-4
0.238
RUT-UNI-630c5802-3
0.238
MAK-UNK-212f693e-32
0.237
THO-SYG-98fc3427-8
0.237
MAT-POS-b5746674-74
0.235
MAK-UNK-31051d4e-6
0.234
MAK-UNK-b7886382-1
0.233
AAR-UNI-c25c2f1e-89
0.232
MAR-TRE-f5c2d31c-24
0.232
MAR-TRE-4b834d9a-91
0.231
MAK-UNK-10dfa458-1
0.230
MAK-UNK-27459e11-9
0.229
MAR-TRE-74c6519b-29
0.228
ALE-UNK-fca05062-3
0.228
MAR-TRE-9d18ae8c-83
0.227
PET-UNK-1901c25b-1
0.227
AHN-SAT-02ef6d10-9
0.227
MAK-UNK-10dfa458-20
0.227
MAK-UNK-3f402c2b-22
0.225
PET-UNK-55f647aa-3
0.225
MAT-POS-b5746674-72
0.225
MAR-TRE-f6f5f473-61
0.223
MAR-TRE-e86a56b5-55
0.222
MAR-TRE-14ce9fd6-26
0.222
MAR-TRE-1c920f6f-59
0.222
THO-SYG-98fc3427-10
0.221
MAK-UNK-e4a48a85-24
0.221
NIM-UNI-7ba87d62-4
0.221
MAK-UNK-acefcb18-2
0.221
RUT-UNI-630c5802-22
0.220
JUL-TUD-06b2044f-137
0.220
GAB-REV-70cc3ca5-20
0.220
MAR-TRE-c8530538-11
0.219
MAR-TRE-c8530538-90
0.218
MAK-UNK-748f8b7a-4
0.218
PET-UNK-55f647aa-2
0.218
RUT-UNI-630c5802-2
0.218
MAT-POS-ea426761-45
0.217
LON-WEI-4d77710c-25
0.217
LON-WEI-5e7d1b3e-25
0.217
RAL-THA-d07c7800-5
0.217
ALP-POS-c3a96089-1
0.216
ALE-UNK-fca05062-4
0.216
MAR-TRE-14ce9fd6-78
0.216
SAD-SAT-29425be4-15
0.216
MAT-POS-ea426761-56
0.216
PET-UNK-55f647aa-1
0.216
MAR-TRE-9c797165-81
0.215
MAK-UNK-acefcb18-29
0.215
MAR-TRE-74c6519b-6
0.214
MAK-UNK-e4a48a85-22
0.213