Molecular Properties | |
SMILES: | CC(=O)Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC2CCCC2)c2ccc(C)o2)cc1 |
MW: | 514.23 |
Fraction sp3: | 0.32 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 122.36 |
cLogP: | 4.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAR-LAB-ff9967db-38
0.526
MAR-LAB-ff9967db-30
0.464
MAR-LAB-ff9967db-27
0.462
MAR-LAB-ff9967db-24
0.459
EDJ-MED-06d94977-1
0.437
MAR-LAB-efb042c5-2
0.419
ALP-POS-bad7201a-14
0.402
RUT-UNI-630c5802-13
0.397
ROB-IMP-e811baff-1
0.397
ALP-POS-c59291d4-3
0.395
ALP-POS-87c86d55-2
0.393
MAR-LAB-ca4662a6-7
0.392
RUT-UNI-630c5802-5
0.388
MAT-POS-06036648-3
0.388
ALP-POS-c59291d4-2
0.381
RUT-UNI-630c5802-1
0.380
MAR-LAB-ff9967db-3
0.379
MAT-POS-06036648-4
0.377
MAT-POS-06036648-5
0.375
MAR-LAB-ff9967db-19
0.375
MAR-LAB-ff9967db-10
0.374
RUT-UNI-630c5802-22
0.374
VLA-UCB-34f3ed0c-2
0.374
DAR-DIA-667e571f-5
0.371
RUT-UNI-630c5802-9
0.371
MAR-LAB-ff9967db-31
0.370
ANT-DIA-62e4526e-1
0.370
ALP-POS-c59291d4-4
0.368
ALP-POS-6d04362c-1
0.367
MAT-POS-06036648-6
0.364
UNK-UNK-2ede4078-81
0.364
DAR-DIA-667e571f-6
0.364
ALP-POS-6d04362c-5
0.362
AAR-POS-8a4e0f60-7
0.362
UNK-UNK-2ede4078-94
0.361
DAR-DIA-667e571f-3
0.359
MAR-LAB-ff9967db-12
0.358
ALP-POS-c0c213c9-13
0.358
CHO-MSK-00c5269a-1
0.357
DAR-DIA-093892e4-2
0.355
ALP-POS-bad7201a-5
0.353
DAR-DIA-093892e4-8
0.352
ALP-POS-87c86d55-1
0.351
DAR-DIA-093892e4-4
0.350
OLG-UNK-911c2067-1
0.348
RUT-UNI-630c5802-26
0.347
CHO-MSK-00c5269a-2
0.347
DAR-DIA-093892e4-1
0.347
ALP-POS-7c842ab8-1
0.347
NAU-LAT-3f5f3993-4
0.346
MAT-POS-06036648-1
0.345
PET-UNK-b75fdf9f-1
0.345
RUT-UNI-630c5802-20
0.345
RUT-UNI-630c5802-21
0.345
DAR-DIA-093892e4-7
0.342
ALP-POS-c0c213c9-15
0.342
AAR-POS-8a4e0f60-8
0.342
DAR-DIA-093892e4-12
0.342
UNK-UNK-2ede4078-8
0.341
RAL-THA-4a5dabff-8
0.341
EDJ-MED-06d94977-2
0.339
RUT-UNI-630c5802-18
0.339
PET-UNK-1901c25b-3
0.339
RUT-UNI-630c5802-17
0.339
ALP-POS-d2866bdf-1
0.339
PET-UNK-7374c256-2
0.339
RAL-THA-4a5dabff-2
0.339
ALP-POS-75715966-1
0.339
DAR-DIA-667e571f-7
0.338
RUT-UNI-630c5802-19
0.336
VLA-UCB-05e51b3f-8
0.336
VLA-UCB-50c39ae8-5
0.336
MAD-UNK-b1ea4171-1
0.336
RUT-UNI-630c5802-24
0.336
MAD-UNK-84a4f939-1
0.336
ALP-POS-c0c213c9-6
0.336
ALP-POS-c0c213c9-18
0.336
ALP-POS-75715966-5
0.336
MAT-POS-06036648-2
0.336
DAR-DIA-093892e4-5
0.336
DAR-DIA-093892e4-11
0.336
ALP-POS-6d04362c-3
0.336
ALP-POS-6d04362c-4
0.336
DAR-DIA-093892e4-9
0.336
DAR-DIA-667e571f-4
0.336
DAR-DIA-667e571f-2
0.333
CHO-MSK-00c5269a-3
0.333
MAR-LAB-ff9967db-40
0.333
ALP-POS-bad7201a-15
0.333
ALP-POS-6d04362c-2
0.333
DAR-DIA-093892e4-10
0.331
CHO-MSK-00c5269a-4
0.331
WIL-UNI-2e73223c-2
0.331
CHO-MSK-00c5269a-5
0.331
RUT-UNI-630c5802-27
0.331
ALP-POS-c59291d4-1
0.331
RAL-THA-4a5dabff-1
0.330
PET-UNK-1901c25b-2
0.328
MAT-POS-3b92565d-14
0.327
BEN-DND-61647d40-12
0.327