Molecular Properties | |
SMILES: | CC(Sc1ncccc1C#N)C(=O)Nc1nccs1 |
MW: | 290.03 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 78.67 |
cLogP: | 2.53 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3309255397 |
MolPort: | MolPort-003-843-967 |
aminothiazole
MAR-TRE-a3327163-15
0.520
MAR-TRE-6c5ef77a-20
0.376
MAR-TRE-0fda4e82-63
0.375
MAR-TRE-6c5ef77a-14
0.372
MAR-TRE-6c5ef77a-33
0.368
MAR-TRE-6c5ef77a-26
0.365
UNK-CYC-68f84b31-10
0.356
MAR-TRE-14ce9fd6-43
0.345
MAR-TRE-6c5ef77a-68
0.344
MAR-TRE-6c5ef77a-93
0.341
MAR-TRE-a3327163-29
0.341
MAR-TRE-14ce9fd6-27
0.341
MAR-TRE-1c920f6f-44
0.341
MAR-TRE-1c920f6f-42
0.337
MAR-TRE-0fda4e82-89
0.337
MAR-TRE-0fda4e82-90
0.333
MAR-TRE-1c920f6f-26
0.333
MAR-TRE-6c5ef77a-96
0.330
MAR-TRE-1c920f6f-30
0.330
MAR-TRE-1c920f6f-49
0.330
MAR-TRE-14ce9fd6-37
0.330
MAR-TRE-6c5ef77a-67
0.330
MAR-TRE-6c5ef77a-46
0.330
MAR-TRE-1c920f6f-3
0.329
MAR-TRE-1c920f6f-47
0.329
MAR-TRE-0fda4e82-47
0.326
MAR-TRE-0fda4e82-76
0.326
MAR-TRE-6c5ef77a-66
0.326
MAR-TRE-6c5ef77a-64
0.322
MAR-TRE-6c5ef77a-22
0.322
MAR-TRE-6c5ef77a-55
0.320
MAR-TRE-1c920f6f-58
0.320
MAR-TRE-1c920f6f-74
0.318
MAR-TRE-1c920f6f-10
0.318
MAR-TRE-6c5ef77a-51
0.315
MAR-TRE-0fda4e82-29
0.315
MAR-TRE-6c5ef77a-61
0.312
MAR-TRE-6c5ef77a-58
0.312
MAR-TRE-0fda4e82-72
0.312
MAR-TRE-14ce9fd6-1
0.310
MAR-TRE-1c920f6f-82
0.290
MAR-TRE-a3327163-61
0.284
MAR-TRE-a9136c7b-43
0.282
MAR-TRE-fd17a9b8-43
0.268
MAR-TRE-fd17a9b8-84
0.267
MAR-TRE-2fd8122f-32
0.266
MAR-TRE-a3327163-20
0.264
NAU-LAT-445f63e5-4
0.259
MAR-TRE-a3327163-50
0.258
MAR-TRE-a3327163-35
0.258
MAR-TRE-0fda4e82-33
0.255
MAR-TRE-0fda4e82-73
0.255
MAR-TRE-a3327163-75
0.253
MAR-TRE-0fda4e82-85
0.253
ANT-DIA-3c79be55-3
0.248
MAR-TRE-0fda4e82-93
0.247
MAR-TRE-0fda4e82-91
0.247
MAR-TRE-6c5ef77a-86
0.247
MAR-TRE-14ce9fd6-83
0.245
MAR-TRE-6c5ef77a-85
0.245
ANT-DIA-3c79be55-1
0.245
MAR-TRE-2fd8122f-34
0.242
MAR-TRE-6c5ef77a-82
0.240
MAR-TRE-a3327163-5
0.240
MAR-TRE-1c920f6f-96
0.237
MAR-TRE-14ce9fd6-5
0.236
MAR-TRE-66ac689e-10
0.235
TRY-UNI-714a760b-22
0.234
BEN-DND-61647d40-10
0.233
MAR-TRE-d0525fbf-93
0.232
DAR-DIA-0cde14eb-15
0.230
MAR-TRE-8190bb11-44
0.230
MAK-UNK-7732b35b-24
0.228
WAR-XCH-b0339bbe-13
0.227
DAR-DIA-842b4336-19
0.227
MAR-TRE-6c5ef77a-43
0.227
MAK-UNK-51bb34f9-2
0.226
IND-SYN-6c8299e8-11
0.225
IND-SYN-64980207-1
0.225
DAR-DIA-0cde14eb-43
0.224
MAR-TRE-0fda4e82-12
0.223
DAR-DIA-23aa0b97-10
0.222
UNK-CYC-68f84b31-75
0.222
UNK-UNK-2ede4078-87
0.221
ALP-POS-780445ae-6
0.220
UNK-CYC-68f84b31-42
0.219
ANT-DIA-3c79be55-2
0.218
MAR-TRE-14ce9fd6-4
0.218
MAR-TRE-a3327163-24
0.218
AGN-NEW-c7b24fe3-3
0.217
MAR-TRE-f5c2d31c-60
0.217
MAR-TRE-be9ff7d2-6
0.217
MAK-UNK-ed378e62-21
0.217
MAR-TRE-a3327163-73
0.217
MAR-TRE-0fda4e82-32
0.217
TRY-UNI-714a760b-21
0.216
DAR-DIA-0cde14eb-9
0.216
MAR-TRE-14ce9fd6-87
0.216
DAR-DIA-842b4336-9
0.216
MAR-TRE-a3327163-37
0.215