Molecular Properties | |
SMILES: | CCCOc1cc(Cl)cc(C2CC(=O)N(c3cncc4ccccc34)CC2c2ccccc2C#N)c1 |
MW: | 495.17 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 66.22 |
cLogP: | 6.85 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-c9c1e0d8-3
DAR-DIA-f6ee7aeb-2
0.845
DAR-DIA-f6ee7aeb-5
0.718
DAR-DIA-f6ee7aeb-4
0.605
DAR-DIA-f6ee7aeb-6
0.471
DAR-DIA-d6e5861b-2
0.461
DAR-DIA-f6ee7aeb-1
0.435
DAR-DIA-d6e5861b-1
0.394
DAR-DIA-d6e5861b-4
0.375
DAR-DIA-d6e5861b-9
0.364
ALP-UNI-dbb9503d-1
0.361
ALP-POS-ecbed2ba-17
0.360
GIA-UNK-80c9bc96-1
0.359
PET-UNK-c9c1e0d8-4
0.359
EDG-MED-5d232de5-8
0.359
EDG-MED-5d232de5-7
0.359
ALP-UNI-58319883-2
0.358
PET-UNK-431b3bfb-1
0.358
DAR-DIA-0587064e-2
0.355
PET-UNK-7b413b46-4
0.355
PET-UNK-7b413b46-8
0.355
VLA-UNK-e334495f-1
0.355
VLA-UNK-61877630-7
0.355
MIK-ENA-99706bb8-1
0.353
MIK-ENA-17e27e9c-1
0.353
MIK-ENA-623fe2a6-1
0.353
MIK-ENA-2c0ad173-1
0.353
MIK-ENA-be04d1d4-1
0.353
MIK-ENA-e143773d-1
0.353
MIK-ENA-edcfce18-1
0.353
MIK-ENA-0547b12c-1
0.353
MAT-POS-50a80394-1
0.353
ALP-POS-ecbed2ba-16
0.353
MAT-POS-50a80394-2
0.353
ALP-POS-ce760d3f-8
0.350
BEN-DND-d1eb1f41-15
0.350
JUL-TUD-06b2044f-112
0.350
PET-UNK-689df078-2
0.347
VLA-UNK-db5e3064-1
0.347
ALP-POS-df536be7-4
0.346
ALP-POS-ecbed2ba-21
0.345
MIK-ENA-5d9157e9-2
0.343
MIK-ENA-5d9157e9-1
0.343
EDJ-MED-8bb691af-6
0.343
ALP-POS-ecbed2ba-4
0.343
ALP-POS-ecbed2ba-9
0.343
EDJ-MED-a12e3a20-1
0.343
MAT-POS-24589f88-14
0.342
BEN-DND-d1eb1f41-7
0.342
PET-UNK-c9c1e0d8-3
0.342
PET-UNK-7b413b46-7
0.341
PET-UNK-7b413b46-3
0.341
BEN-DND-d1eb1f41-8
0.341
DAR-DIA-6be260fc-2
0.341
ALP-POS-ecbed2ba-18
0.341
VLA-UCB-1dbca3b4-6
0.339
ALP-UNI-dbb9503d-2
0.339
ALP-UNI-58319883-1
0.338
MAT-POS-b3212acf-1
0.338
MAT-POS-50a80394-3
0.338
DAR-DIA-0f7b7cd9-7
0.336
DAR-DIA-0f7b7cd9-5
0.336
MAT-POS-8695a11f-1
0.336
MAT-POS-d8472c4f-1
0.336
MAT-POS-8695a11f-3
0.336
PET-UNK-7a31b064-2
0.336
PET-UNK-aa57768f-2
0.336
PET-UNK-aa57768f-8
0.336
EDJ-MED-28b38b9b-3
0.336
EDJ-MED-accc2c4d-1
0.336
ALP-POS-ecbed2ba-14
0.336
VLA-UNK-e334495f-4
0.336
PET-UNK-5ddd54c7-1
0.333
PET-UNK-194f9da3-2
0.333
ALP-POS-ecbed2ba-15
0.333
ALP-POS-ecbed2ba-19
0.333
ALP-POS-bb8a3193-4
0.333
DAR-DIA-d6e5861b-6
0.333
MIC-UNK-9582b2c5-1
0.333
MIC-UNK-c85ea37c-3
0.331
MAT-POS-b3212acf-2
0.331
MIC-UNK-257d841f-1
0.331
ALP-POS-bb8a3193-8
0.331
EDJ-MED-9f4ac58c-2
0.331
VLA-UNK-5d8210f0-1
0.331
EDJ-MED-accc2c4d-4
0.331
EDJ-MED-accc2c4d-3
0.331
JUL-TUD-06b2044f-89
0.331
DAR-DIA-6be260fc-3
0.331
DAR-DIA-0f7b7cd9-9
0.331
DAR-DIA-0f7b7cd9-10
0.331
ALP-POS-ecbed2ba-8
0.329
ALP-POS-ecbed2ba-13
0.329
ALP-POS-01611061-1
0.329
LUO-POS-f7b1afe6-2
0.329
MAT-POS-50a80394-8
0.329
VLA-UNK-61877630-9
0.329
VLA-UNK-e334495f-3
0.329
LUO-POS-f7b1afe6-1
0.328
ALP-POS-01611061-2
0.328
MAT-POS-50a80394-5
0.328