Molecular Properties | |
SMILES: | COc1ccc2nc(N(Cc3ccccc3)C(=O)Cn3nnc4ccccc43)sc2c1 |
MW: | 429.13 |
Fraction sp3: | 0.13 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 73.14 |
cLogP: | 4.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Shipped: | 2021-05-26 |
ALP-POS-6d04362c-1
0.515
CHO-MSK-00c5269a-2
0.495
ALP-POS-bad7201a-5
0.490
ALP-POS-bad7201a-14
0.476
ALP-POS-6d04362c-5
0.458
DAR-DIA-093892e4-3
0.441
RAL-THA-4a5dabff-1
0.441
DAR-DIA-093892e4-4
0.439
UNK-UNK-2ede4078-94
0.422
ROB-IMP-e811baff-1
0.416
ALP-POS-bad7201a-15
0.413
ALP-POS-6d04362c-2
0.413
CHO-MSK-00c5269a-1
0.413
CHO-MSK-00c5269a-3
0.413
DAR-DIA-093892e4-1
0.412
DAR-DIA-093892e4-7
0.411
UNK-UNK-2ede4078-81
0.410
ALP-POS-c59291d4-1
0.409
ALP-POS-d2866bdf-1
0.407
MAR-LAB-ff9967db-12
0.406
PET-UNK-1901c25b-2
0.405
RUT-UNI-630c5802-19
0.404
PET-UNK-b75fdf9f-1
0.402
MAD-UNK-84a4f939-1
0.402
MAD-UNK-b1ea4171-1
0.402
DAR-DIA-093892e4-5
0.402
ALP-POS-75715966-5
0.402
MAR-LAB-ca4662a6-7
0.400
ALP-POS-c59291d4-4
0.400
DAR-DIA-093892e4-9
0.400
RUT-UNI-630c5802-9
0.400
RUT-UNI-630c5802-1
0.398
EDJ-MED-06d94977-2
0.398
DAR-DIA-093892e4-2
0.397
RUT-UNI-630c5802-5
0.395
DAR-DIA-093892e4-12
0.395
RAL-THA-4a5dabff-3
0.394
ALP-POS-87c86d55-1
0.394
DAR-DIA-093892e4-8
0.393
RAL-THA-4a5dabff-2
0.393
ALP-POS-75715966-1
0.391
DAR-DIA-093892e4-6
0.391
AAR-POS-8a4e0f60-6
0.391
PET-UNK-b75fdf9f-2
0.391
MAT-POS-ffe83904-1
0.390
DAR-DIA-093892e4-11
0.389
MAT-POS-06036648-2
0.389
ALP-POS-c0c213c9-6
0.389
RUT-UNI-630c5802-24
0.389
RUT-UNI-630c5802-26
0.389
ALP-POS-c59291d4-2
0.388
MAT-POS-06036648-6
0.383
AAR-POS-8a4e0f60-8
0.383
RUT-UNI-630c5802-27
0.383
PET-UNK-1901c25b-3
0.382
PET-UNK-7374c256-2
0.382
DAR-DIA-093892e4-10
0.381
AAR-POS-8a4e0f60-7
0.381
OLG-UNK-911c2067-1
0.378
EDJ-MED-06d94977-1
0.377
ALP-POS-87c86d55-2
0.376
HOL-KAN-828c7b64-1
0.374
MAT-POS-06036648-4
0.372
ALP-POS-c0c213c9-15
0.372
MAT-POS-06036648-9
0.370
RAL-THA-4a5dabff-8
0.370
CHO-MSK-00c5269a-5
0.370
CHO-MSK-00c5269a-4
0.370
RUT-UNI-630c5802-13
0.369
ALP-POS-c59291d4-3
0.367
MAT-POS-c79fcd02-1
0.365
MAR-LAB-ff9967db-27
0.365
ALP-POS-7c842ab8-1
0.364
ALP-POS-6d04362c-3
0.364
ALP-POS-6d04362c-4
0.364
HOL-KAN-47917554-1
0.362
MAR-LAB-ff9967db-10
0.359
WIL-UNI-2e73223c-2
0.358
RUT-UNI-630c5802-17
0.357
RUT-UNI-630c5802-18
0.357
RUT-UNI-630c5802-22
0.357
AAR-POS-8a4e0f60-1
0.353
ANT-OPE-45835252-1
0.353
ALP-POS-c0c213c9-3
0.353
DAR-DIA-667e571f-4
0.352
MAT-POS-06036648-1
0.351
RUT-UNI-630c5802-20
0.351
RUT-UNI-630c5802-21
0.351
RUT-UNI-630c5802-23
0.350
WIL-UNI-2e73223c-1
0.350
UNK-UNK-2ede4078-8
0.347
RUT-UNI-630c5802-25
0.346
MAT-POS-06036648-5
0.345
VLA-UCB-34f3ed0c-2
0.345
MAR-LAB-ff9967db-24
0.342
ALP-POS-c0c213c9-18
0.342
MAT-POS-3b92565d-13
0.336
AAR-POS-8a4e0f60-4
0.336
MAR-LAB-ff9967db-30
0.336
MAT-POS-06036648-3
0.336