Molecular Properties | |
SMILES: | CCCOc1cc(Cl)cc(-c2cc(=O)n(-c3cncc4ccccc34)cc2-c2ccccc2C#N)c1 |
MW: | 491.14 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 67.91 |
cLogP: | 7.03 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-d6e5861b-1
0.827
DAR-DIA-d6e5861b-9
0.808
DAR-DIA-d6e5861b-4
0.706
DAR-DIA-d6e5861b-6
0.689
DAR-DIA-d6e5861b-3
0.583
DAR-DIA-d6e5861b-5
0.578
DAR-DIA-d6e5861b-10
0.536
DAR-DIA-d6e5861b-8
0.467
DAR-DIA-f6ee7aeb-3
0.461
DAR-DIA-d6e5861b-7
0.386
DAR-DIA-f6ee7aeb-5
0.382
DAR-DIA-f6ee7aeb-2
0.380
DAR-DIA-5d6f1b43-1
0.353
DAR-DIA-5d6f1b43-8
0.347
DAR-DIA-0587064e-2
0.347
DAR-DIA-5d6f1b43-3
0.339
DAR-DIA-5d6f1b43-5
0.333
DAR-DIA-5d6f1b43-11
0.333
DAR-DIA-5d6f1b43-4
0.322
PET-UNK-94460c07-1
0.317
DAR-DIA-5d6f1b43-7
0.316
DAR-DIA-5d6f1b43-6
0.316
PET-UNK-94460c07-2
0.312
DAR-DIA-f6ee7aeb-1
0.311
UNK-UNK-2ede4078-78
0.311
DAR-DIA-f6ee7aeb-4
0.310
DAR-DIA-5d6f1b43-13
0.308
PET-UNK-194f9da3-2
0.305
ALP-POS-ecbed2ba-16
0.299
PET-UNK-aa57768f-2
0.299
PET-UNK-aa57768f-8
0.299
ALP-UNI-dbb9503d-1
0.298
PET-UNK-5ddd54c7-1
0.295
PET-UNK-3e354a91-1
0.294
PET-UNK-7b413b46-3
0.291
PET-UNK-7b413b46-7
0.291
LUO-POS-eaf50f21-2
0.291
ALP-POS-df536be7-4
0.289
XIA-UNK-e3342273-1
0.288
PET-UNK-194f9da3-1
0.287
ALP-POS-ecbed2ba-17
0.287
ALP-POS-ecbed2ba-18
0.286
MAT-POS-c7726e07-5
0.285
LUO-POS-868e8996-11
0.285
MAT-POS-c7726e07-6
0.285
PET-UNK-626a1084-3
0.285
LUO-POS-868e8996-12
0.285
PET-UNK-626a1084-1
0.285
EDJ-MED-8bb691af-4
0.285
DAR-DIA-0f7b7cd9-4
0.285
MIC-UNK-7b6fe9e8-3
0.284
DAR-DIA-53551c05-11
0.284
PET-UNK-7b413b46-8
0.283
VLA-UNK-70dd90ef-2
0.283
DAR-DIA-0587064e-4
0.283
PET-UNK-7b413b46-4
0.283
PET-UNK-5ddd54c7-2
0.283
VLA-UNK-61877630-7
0.283
VLA-UNK-e334495f-4
0.283
VLA-UNK-e334495f-1
0.283
MAT-POS-50a80394-5
0.283
ALP-UNI-58319883-1
0.283
ALP-POS-ecbed2ba-14
0.282
EDJ-MED-accc2c4d-1
0.282
MAT-UCL-e2ab2224-2
0.281
EDJ-MED-8bb691af-1
0.281
ALP-POS-ecbed2ba-15
0.281
MAT-POS-50a80394-2
0.281
MIK-ENA-be04d1d4-1
0.281
MIK-ENA-e143773d-1
0.281
MIK-ENA-edcfce18-1
0.281
MIK-ENA-0547b12c-1
0.281
ALP-POS-133e7cd9-1
0.281
PET-UNK-aa57768f-11
0.281
JOH-MSK-4bb3d434-1
0.281
PET-UNK-aa57768f-5
0.281
DAR-DIA-b80f1cd7-1
0.280
PET-UNK-e8933450-1
0.280
MIK-ENA-5d9157e9-2
0.280
MIK-ENA-5d9157e9-1
0.280
EDJ-MED-8bb691af-6
0.280
ALP-POS-ecbed2ba-4
0.280
PET-UNK-aa57768f-3
0.279
PET-UNK-aa57768f-9
0.279
ALP-UNI-dbb9503d-2
0.279
EDG-MED-b6bce001-2
0.279
EDJ-MED-33064c06-15
0.278
EDJ-MED-9f4ac58c-2
0.278
EDJ-MED-cbbe2dbb-4
0.278
BEN-DND-d1eb1f41-15
0.278
EDJ-MED-cbbe2dbb-1
0.277
MIC-UNK-7b6fe9e8-1
0.277
LUO-POS-5857a86a-1
0.277
PET-UNK-7a31b064-2
0.277
ALP-POS-ecbed2ba-3
0.277
EDJ-MED-fd8ed875-3
0.277
PET-UNK-eeb64427-5
0.277
VLA-UNK-5d8210f0-1
0.277
EDJ-MED-accc2c4d-3
0.277
EDJ-MED-24007d8a-1
0.277