Molecular Properties | |
SMILES: | COc1ccccc1C(CNC(=O)Cn1nnc2ccccc21)NC(=O)CNc1nccs1 |
MW: | 465.539 |
Fraction sp3: | 0.23 |
HBA: | 9 |
HBD: | 3 |
Rotatable Bonds: | 10 |
TPSA: | 123.06 |
cLogP: | 1.9822 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-05-03 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
Long aliphatic chain
aminothiazole
AAR-POS-d2a4d1df-1
MAR-LAB-ca4662a6-8
0.412
AAR-POS-8a4e0f60-6
0.389
MAT-POS-06036648-9
0.382
AAR-POS-8a4e0f60-4
0.373
MAT-POS-c79fcd02-1
0.364
MAT-POS-3b92565d-13
0.361
AAR-POS-8a4e0f60-10
0.350
MAT-POS-bfb445d4-1
0.346
MAT-POS-3b92565d-14
0.346
BEN-DND-02317c5c-12
0.346
BEN-DND-61647d40-12
0.346
MAR-LAB-ca4662a6-7
0.343
UNK-UNK-2ede4078-94
0.342
DAR-DIA-667e571f-1
0.333
ANT-OPE-45835252-1
0.327
RAL-THA-4a5dabff-7
0.325
EDJ-MED-06d94977-2
0.321
MAR-LAB-ff9967db-3
0.321
RUT-UNI-630c5802-19
0.319
MAR-LAB-ff9967db-10
0.319
MAR-LAB-ff9967db-40
0.318
MAT-POS-06036648-4
0.318
EDJ-MED-06d94977-1
0.316
NAU-LAT-3f5f3993-4
0.315
AAR-POS-8a4e0f60-8
0.315
MAT-POS-06036648-6
0.315
ALP-POS-bad7201a-5
0.314
BEN-DND-61647d40-2
0.313
RUT-UNI-630c5802-22
0.311
ANT-DIA-62e4526e-1
0.311
RUT-UNI-630c5802-17
0.311
RUT-UNI-630c5802-18
0.311
UNK-UNK-2ede4078-81
0.310
ALP-POS-87c86d55-2
0.310
RAL-THA-4a5dabff-6
0.310
ALP-POS-c59291d4-2
0.310
MAR-LAB-ff9967db-24
0.309
MAT-POS-06036648-2
0.309
CHO-MSK-00c5269a-2
0.309
MAR-LAB-ff9967db-38
0.307
RUT-UNI-630c5802-20
0.306
ALP-POS-c59291d4-4
0.306
RAL-THA-4a5dabff-8
0.305
MAR-LAB-ff9967db-19
0.305
MAR-LAB-ff9967db-27
0.304
ALP-POS-bad7201a-14
0.303
AAR-POS-8a4e0f60-7
0.301
ALP-POS-182116e9-3
0.300
PET-UNK-1901c25b-3
0.300
PET-UNK-7374c256-2
0.300
ALP-POS-182116e9-2
0.299
RAL-THA-4a5dabff-4
0.299
ALP-POS-c0c213c9-6
0.298
OLG-UNK-911c2067-1
0.298
CHO-MSK-00c5269a-1
0.295
RUT-UNI-630c5802-21
0.295
MAR-LAB-ff9967db-30
0.294
MAT-POS-06036648-3
0.294
RAL-THA-4a5dabff-5
0.293
ALP-POS-c0c213c9-15
0.293
DAR-DIA-093892e4-3
0.291
ROB-IMP-e811baff-1
0.291
RAL-THA-4a5dabff-1
0.291
RAL-THA-4a5dabff-2
0.290
ALP-POS-d2866bdf-1
0.289
ALP-POS-87c86d55-1
0.289
MAT-POS-06036648-5
0.289
RAL-THA-4a5dabff-3
0.289
DAR-DIA-667e571f-5
0.289
ALP-POS-c0c213c9-18
0.288
AAR-POS-8a4e0f60-1
0.288
ALP-POS-75715966-5
0.288
RUT-UNI-630c5802-24
0.288
MAT-POS-ffe83904-1
0.287
DAR-DIA-667e571f-3
0.285
CHO-MSK-00c5269a-3
0.285
ALP-POS-6d04362c-2
0.285
ALP-POS-bad7201a-15
0.285
MAR-LAB-ff9967db-4
0.284
MAT-POS-06036648-1
0.283
PET-UNK-b75fdf9f-1
0.283
HOL-KAN-47917554-1
0.283
DAR-DIA-093892e4-4
0.282
HOL-KAN-828c7b64-1
0.281
ALP-POS-75715966-1
0.281
DAR-DIA-667e571f-4
0.280
MAT-POS-b5746674-67
0.280
PET-UNK-1901c25b-2
0.280
ALP-POS-182116e9-1
0.280
ALP-POS-6d04362c-1
0.280
DAR-DIA-667e571f-2
0.279
DAR-DIA-093892e4-1
0.279
WIL-UNI-2e73223c-3
0.279
UNK-UNK-2ede4078-29
0.278
MAR-LAB-ff9967db-12
0.278
RUT-UNI-630c5802-26
0.278
WIL-UNI-2e73223c-1
0.277
PET-UNK-b75fdf9f-2
0.276
RUT-UNI-630c5802-23
0.276
MAR-LAB-ff9967db-31
0.275