Molecular Properties | |
SMILES: | CC(=O)Nc1nc2c(s1)CN(CC(=O)Nc1cccnc1)CC2 |
MW: | 331.11 |
Fraction sp3: | 0.33 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 87.22 |
cLogP: | 1.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8648700399 |
MolPort: | MolPort-019-920-702 |
aminothiazole
MAR-TRE-67513f76-73
0.446
TAM-UNI-c140e31a-13
0.446
TAM-UNI-c140e31a-7
0.436
TAM-UNI-c140e31a-1
0.423
MAR-TRE-2fd8122f-30
0.415
MAR-TRE-d0525fbf-64
0.411
DAR-DIA-842b4336-12
0.386
BEN-DND-362d364a-11
0.385
KEI-TRE-d5e2018a-67
0.385
KEI-TRE-d5e2018a-26
0.385
NAU-LAT-64f4b287-10
0.382
JOH-IMS-62aeb97d-5
0.378
MAR-TRE-b77b7921-91
0.378
MAR-TRE-2fd8122f-54
0.376
MAT-POS-b5746674-28
0.375
MAT-POS-b5746674-21
0.370
MAR-TRE-67513f76-81
0.370
MAR-TRE-67513f76-13
0.367
MAT-POS-b5746674-22
0.366
MAR-TRE-67513f76-22
0.365
TAM-UNI-c140e31a-12
0.364
MAR-TRE-4b834d9a-31
0.363
MAR-TRE-67513f76-55
0.362
MAR-TRE-9c797165-21
0.362
TAM-UNI-c140e31a-14
0.360
TAM-UNI-c140e31a-6
0.360
MAK-UNK-ca11b4f7-1
0.360
MAR-TRE-4b834d9a-96
0.358
MAR-TRE-4b834d9a-63
0.357
DUN-NEW-f8ce3686-8
0.356
MED-UNK-e6e8ef8a-4
0.356
CHR-SOS-59746812-1
0.356
KEI-TRE-d5e2018a-45
0.355
MAR-TRE-2fd8122f-39
0.354
MAR-TRE-f6f5f473-46
0.354
MAR-TRE-b77b7921-52
0.354
MAR-TRE-67513f76-69
0.354
DAR-DIA-842b4336-11
0.353
DAR-DIA-842b4336-13
0.353
ALE-HEI-f28a35b5-5
0.353
MED-UNK-e6e8ef8a-6
0.353
MED-UNK-e6e8ef8a-5
0.353
MAR-TRE-2fd8122f-78
0.352
CHR-SOS-59746812-5
0.352
KEI-TRE-d5e2018a-74
0.351
ALE-HEI-f28a35b5-14
0.350
MAR-TRE-7f7bb9f0-53
0.350
CHR-SOS-59746812-2
0.348
MAR-TRE-3e4e6814-27
0.347
BEN-DND-362d364a-10
0.347
SAN-PRS-52b81272-2
0.346
DAR-DIA-842b4336-10
0.345
CHR-SOS-70e4c98a-8
0.344
CHR-SOS-59746812-6
0.344
CHA-MCP-85291e1d-1
0.344
CHR-SOS-f7373dd1-6
0.344
CHR-SOS-70e4c98a-1
0.344
CHR-SOS-59746812-3
0.344
MAR-TRE-2fd8122f-94
0.343
FRA-FAC-9ed5a63a-1
0.341
AAR-POS-d2a4d1df-13
0.341
ALE-HEI-f28a35b5-9
0.341
DAR-DIA-842b4336-14
0.341
MAR-TRE-9c797165-52
0.341
MAR-TRE-2fd8122f-2
0.340
CHR-SOS-59746812-4
0.340
MAR-TRE-2fd8122f-43
0.340
DAR-DIA-842b4336-2
0.337
CHR-SOS-70e4c98a-6
0.337
CHR-SOS-70e4c98a-3
0.337
MAR-TRE-2fd8122f-99
0.337
CHR-SOS-f7373dd1-3
0.337
MAR-TRE-f6f5f473-52
0.337
MAR-TRE-9c797165-60
0.337
MAR-TRE-b77b7921-80
0.337
MAR-TRE-7f7bb9f0-82
0.337
MAR-TRE-04c86cea-40
0.337
DAR-DIA-842b4336-3
0.333
MAR-TRE-9c797165-94
0.333
MAR-TRE-c317dd82-59
0.333
DAR-DIA-842b4336-4
0.333
MAR-TRE-2fd8122f-63
0.333
MAR-TRE-7f7bb9f0-46
0.333
MED-UNK-e6e8ef8a-3
0.333
MAR-TRE-3e4e6814-80
0.330
MAR-TRE-2fd8122f-26
0.330
MAR-TRE-9c797165-22
0.330
MAR-TRE-74c6519b-81
0.330
MAR-TRE-2fd8122f-32
0.330
MAR-TRE-9c797165-57
0.330
MAT-POS-b5746674-25
0.330
CHR-SOS-f7373dd1-5
0.330
MAK-UNK-ca11b4f7-3
0.329
MAR-TRE-d0525fbf-45
0.327
MAR-TRE-2fd8122f-23
0.327
MAR-TRE-4b834d9a-45
0.327
MAR-TRE-2fd8122f-91
0.327
MAR-TRE-2fd8122f-49
0.327
MAR-TRE-3e4e6814-65
0.327
THO-SYG-f9b2970d-2
0.327