Molecular Properties | |
SMILES: | O=C(CC1(CC(=O)Nc2nccs2)CCCCC1)Nc1cccnc1 |
MW: | 358.15 |
Fraction sp3: | 0.44 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 83.98 |
cLogP: | 3.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1143318697 |
Long aliphatic chain
aminothiazole
CHR-SOS-59746812-5
0.568
CHR-SOS-59746812-6
0.562
CHR-SOS-59746812-4
0.537
CHR-SOS-59746812-1
0.533
CHR-SOS-59746812-2
0.527
MAR-TRE-f6f5f473-52
0.519
PET-SGC-d0156db4-2
0.519
CHR-SOS-59746812-3
0.506
MED-UNK-e6e8ef8a-6
0.500
MAR-TRE-04c86cea-81
0.500
CHR-SOS-f7373dd1-2
0.474
CHR-SOS-b301fc01-5
0.464
CHR-SOS-b301fc01-2
0.463
CHR-SOS-f7373dd1-3
0.463
CHR-SOS-b301fc01-3
0.458
CHR-SOS-f7373dd1-1
0.456
CHR-SOS-f7373dd1-5
0.447
CHR-SOS-f7373dd1-6
0.439
CHR-SOS-70e4c98a-1
0.439
CHR-SOS-b301fc01-1
0.437
CHR-SOS-b301fc01-7
0.432
CHR-SOS-f7373dd1-4
0.430
CHR-SOS-54d5cf3e-5
0.429
CHR-SOS-54d5cf3e-6
0.427
CHR-SOS-b301fc01-4
0.422
CHR-SOS-54d5cf3e-7
0.420
CHR-SOS-b301fc01-6
0.420
SAN-PRS-52b81272-2
0.417
CHR-SOS-70e4c98a-3
0.415
MAR-TRE-7f7bb9f0-46
0.412
CHR-SOS-54d5cf3e-2
0.411
CHR-SOS-e960e883-1
0.411
CHR-SOS-54d5cf3e-1
0.411
WAR-XCH-e55cba98-13
0.411
MAR-TRE-67513f76-81
0.409
AAR-POS-d2a4d1df-13
0.408
ALE-HEI-f28a35b5-9
0.408
FRA-FAC-9ed5a63a-1
0.408
CHR-SOS-70e4c98a-8
0.407
MAR-TRE-2fd8122f-34
0.407
CHR-SOS-54d5cf3e-8
0.407
CHR-SOS-54d5cf3e-4
0.402
CHR-SOS-70e4c98a-2
0.400
CHR-SOS-70e4c98a-6
0.400
WAR-XCH-e55cba98-10
0.398
CHR-SOS-54d5cf3e-3
0.398
MAR-TRE-b77b7921-52
0.398
JOH-IMS-62aeb97d-5
0.397
MAK-UNK-ca11b4f7-1
0.397
MAK-UNK-b2c98f02-6
0.396
DAR-DIA-842b4336-10
0.395
MAR-TRE-b77b7921-91
0.393
SAD-SAT-24589cd1-4
0.392
CHR-SOS-e960e883-2
0.389
MAK-UNK-a7b37c5e-4
0.387
DAR-DIA-842b4336-13
0.385
ALE-HEI-f28a35b5-5
0.385
ALE-HEI-f28a35b5-14
0.384
CHR-SOS-70e4c98a-12
0.383
PET-SGC-1fc12be1-1
0.383
CHR-SOS-e960e883-3
0.382
CHR-SOS-70e4c98a-5
0.382
MAK-UNK-a7b37c5e-5
0.382
MAK-UNK-c749d764-27
0.375
MAR-TRE-04c86cea-86
0.373
MAK-UNK-c749d764-17
0.372
DAR-DIA-23aa0b97-16
0.372
MED-UNK-e6e8ef8a-4
0.370
EDG-MED-0da5ad92-2
0.367
MED-UNK-e6e8ef8a-5
0.367
DAR-DIA-842b4336-11
0.367
DAR-DIA-842b4336-12
0.367
MAR-TRE-2fd8122f-99
0.365
CHR-SOS-70e4c98a-11
0.364
MAR-TRE-67513f76-22
0.363
DAR-DIA-842b4336-16
0.362
CHR-SOS-70e4c98a-4
0.362
KAL-WAB-eb347ebe-1
0.361
MAR-TRE-4b834d9a-63
0.355
CHR-SOS-70e4c98a-9
0.355
MAK-UNK-d1e89583-2
0.354
MAK-UNK-a7b37c5e-1
0.354
MAK-UNK-d1e89583-5
0.354
DAR-DIA-842b4336-14
0.354
MAR-TRE-9c797165-52
0.353
MAK-UNK-c749d764-14
0.353
MAK-UNK-c749d764-13
0.353
MED-UNK-e6e8ef8a-7
0.350
MAR-TRE-67513f76-13
0.349
NAU-LAT-64f4b287-10
0.349
MAR-TRE-d0525fbf-64
0.348
MAR-TRE-7f7bb9f0-8
0.348
CHR-SOS-70e4c98a-7
0.348
AUS-ARG-7cfdce8f-11
0.346
FRA-FAC-9ed5a63a-2
0.346
MED-UNK-e6e8ef8a-2
0.346
MED-UNK-e6e8ef8a-3
0.346
MAK-UNK-a7b37c5e-2
0.346
DAR-DIA-23aa0b97-17
0.345
DAR-DIA-842b4336-15
0.345