Molecular Properties | |
SMILES: | CCC(C)(C)CCN(C(=O)Cn1nnc2ccccc21)c1ccc(Oc2nnn[nH]2)cc1 |
MW: | 434.22 |
Fraction sp3: | 0.36 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 9 |
TPSA: | 114.71 |
cLogP: | 3.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-07-12 |
Synthesis Location: | sai |
Shipped: | synthesis in progress |
Long aliphatic chain
WIL-UNI-2e73223c-1
0.500
RUT-UNI-630c5802-20
0.495
WIL-UNI-2e73223c-3
0.463
ALP-POS-bad7201a-5
0.448
PET-UNK-7374c256-2
0.447
PET-UNK-1901c25b-3
0.447
CHO-MSK-00c5269a-2
0.439
MAT-POS-ffe83904-1
0.436
RUT-UNI-630c5802-17
0.433
AAR-POS-8a4e0f60-7
0.430
MAR-LAB-ca4662a6-7
0.429
ALP-POS-6d04362c-1
0.426
CHO-MSK-00c5269a-1
0.425
DAR-DIA-093892e4-7
0.423
ALP-POS-87c86d55-1
0.419
ALP-POS-c0c213c9-18
0.413
MAD-UNK-84a4f939-1
0.413
DAR-DIA-093892e4-5
0.413
ALP-POS-c0c213c9-6
0.413
MAD-UNK-b1ea4171-1
0.413
ALP-POS-bad7201a-14
0.407
ALP-POS-d2866bdf-1
0.406
VLA-UCB-34f3ed0c-2
0.404
DAR-DIA-093892e4-3
0.402
RUT-UNI-630c5802-26
0.400
PET-UNK-b75fdf9f-1
0.400
ALP-POS-87c86d55-2
0.398
ALP-POS-c0c213c9-3
0.398
ALP-POS-bad7201a-15
0.398
ALP-POS-c59291d4-4
0.398
ALP-POS-6d04362c-2
0.398
CHO-MSK-00c5269a-3
0.398
RAL-THA-4a5dabff-1
0.398
ALP-POS-c59291d4-1
0.394
RUT-UNI-630c5802-27
0.393
UNK-UNK-2ede4078-94
0.392
PET-UNK-1901c25b-2
0.391
DAR-DIA-093892e4-6
0.389
ALP-POS-75715966-1
0.389
OLG-UNK-911c2067-1
0.389
EDJ-MED-06d94977-1
0.388
DAR-DIA-093892e4-4
0.388
RUT-UNI-630c5802-24
0.387
DAR-DIA-093892e4-1
0.386
ALP-POS-c59291d4-2
0.386
RUT-UNI-630c5802-21
0.385
DAR-DIA-667e571f-7
0.385
ALP-POS-c0c213c9-13
0.385
DAR-DIA-093892e4-2
0.383
RUT-UNI-630c5802-5
0.381
DAR-DIA-093892e4-12
0.381
RAL-THA-4a5dabff-2
0.378
ALP-POS-6d04362c-5
0.378
ANT-OPE-45835252-1
0.378
ROB-IMP-e811baff-1
0.377
ALP-POS-75715966-5
0.375
DAR-DIA-093892e4-11
0.375
MAR-LAB-ff9967db-24
0.375
ALP-POS-7c842ab8-1
0.374
DAR-DIA-093892e4-9
0.374
MAT-POS-06036648-1
0.374
EDJ-MED-06d94977-2
0.369
MAR-LAB-ff9967db-30
0.368
DAR-DIA-093892e4-10
0.368
DAR-DIA-093892e4-8
0.368
RAL-THA-4a5dabff-8
0.368
RUT-UNI-630c5802-18
0.367
RAL-THA-4a5dabff-3
0.367
MAT-POS-06036648-5
0.367
RUT-UNI-630c5802-22
0.366
AAR-POS-8a4e0f60-6
0.364
PET-UNK-b75fdf9f-2
0.364
RUT-UNI-630c5802-19
0.364
MAT-POS-06036648-2
0.363
ALP-POS-6d04362c-3
0.362
ALP-POS-6d04362c-4
0.362
RUT-UNI-630c5802-1
0.361
UNK-UNK-2ede4078-29
0.358
ALP-POS-c0c213c9-15
0.357
AAR-POS-8a4e0f60-8
0.357
MAT-POS-06036648-3
0.357
MAT-POS-06036648-6
0.357
CHO-MSK-00c5269a-4
0.356
CHO-MSK-00c5269a-5
0.356
RUT-UNI-630c5802-13
0.355
UNK-UNK-2ede4078-81
0.355
ALP-POS-c59291d4-3
0.353
RUT-UNI-630c5802-9
0.352
AAR-POS-8a4e0f60-1
0.351
MAT-POS-06036648-4
0.347
ANT-DIA-62e4526e-1
0.347
DAR-DIA-667e571f-2
0.347
AAR-POS-8a4e0f60-4
0.346
UNK-UNK-2ede4078-8
0.345
MAR-LAB-ff9967db-38
0.344
MAR-LAB-ca4662a6-8
0.343
MAT-POS-06036648-9
0.343
DAR-DIA-667e571f-3
0.341
DAR-DIA-667e571f-4
0.339
NAU-LAT-3f5f3993-4
0.337