Molecular Properties | |
SMILES: | COc1ccc2c(c1)OCCC2C(=O)Nc1cncc2ccccc12 |
MW: | 334.13 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 3.75 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
VLA-UCB-1dbca3b4-15
RAL-THA-05e671eb-12
0.726
RAL-THA-05e671eb-8
0.721
RAL-THA-05e671eb-13
0.714
RAL-THA-05e671eb-3
0.714
RAL-THA-05e671eb-15
0.706
RAL-THA-05e671eb-1
0.655
RAL-THA-05e671eb-9
0.652
ALP-POS-869ac754-1
0.644
RYA-UNI-6d7114fd-1
0.644
RAL-THA-05e671eb-2
0.644
ALP-UNI-3735e77e-3
0.640
RAL-THA-05e671eb-11
0.640
MAT-POS-a13804f0-3
0.633
MAT-POS-a13804f0-2
0.633
RAL-THA-05e671eb-10
0.633
ALP-POS-fe871b40-9
0.633
ALP-POS-d91e0300-1
0.633
MAT-POS-b3e365b9-1
0.618
RAL-THA-05e671eb-23
0.618
MAT-POS-b3e365b9-2
0.618
VLA-UCB-1dbca3b4-15
0.618
MAT-POS-f7918075-1
0.618
DAR-DIA-6a508060-8
0.615
ADA-UCB-dc2b944c-5
0.611
RAL-THA-05e671eb-5
0.611
RAL-THA-05e671eb-35
0.604
RAL-THA-05e671eb-4
0.600
ADA-UCB-dc2b944c-7
0.600
MAT-POS-11b63608-1
0.593
MAT-POS-43fe65f4-1
0.585
EDJ-MED-e4b030d8-7
0.585
DAR-DIA-6a508060-4
0.585
RAL-THA-05e671eb-19
0.585
DAR-DIA-6a508060-3
0.581
RAL-THA-05e671eb-7
0.581
RAL-THA-05e671eb-6
0.574
RAL-THA-05e671eb-22
0.573
RAL-THA-05e671eb-21
0.573
ALP-POS-869ac754-2
0.567
RAL-THA-05e671eb-24
0.565
ALP-POS-c86619f0-1
0.559
RAL-THA-05e671eb-30
0.552
MAT-POS-96f51285-3
0.551
EDJ-MED-611d11e7-9
0.551
EDJ-MED-12f7f543-1
0.548
ALP-POS-fe871b40-5
0.548
RAL-THA-05e671eb-34
0.548
PET-UNK-c0891748-2
0.548
PET-UNK-c0891748-8
0.548
RAL-THA-05e671eb-25
0.548
RAL-THA-05e671eb-18
0.547
RAL-THA-05e671eb-16
0.543
ALP-UNI-3735e77e-2
0.543
RAL-THA-05e671eb-32
0.538
ALP-POS-ce760d3f-1
0.537
RAL-THA-05e671eb-36
0.537
EDJ-MED-e4b030d8-8
0.537
RAL-THA-05e671eb-29
0.537
VLA-UNK-9a7dc93f-4
0.536
MAT-POS-f9802937-7
0.536
EDJ-MED-e4b030d8-9
0.532
RAL-THA-05e671eb-33
0.532
RAL-THA-05e671eb-17
0.531
ALF-EVA-5b152d2f-1
0.531
RAL-THA-05e671eb-20
0.531
ALP-POS-fe871b40-1
0.531
DAR-DIA-0587064e-17
0.529
LAU-MED-88a3970a-13
0.529
LAU-MED-88a3970a-14
0.529
RAL-THA-05e671eb-26
0.526
MAT-POS-5369c344-4
0.525
DAR-DIA-0587064e-12
0.525
EDJ-MED-e4b030d8-5
0.520
LAU-MED-88a3970a-12
0.515
LAU-MED-88a3970a-11
0.515
RAL-THA-05e671eb-27
0.510
EDJ-MED-e4b030d8-10
0.510
EDJ-MED-e4b030d8-4
0.510
EDJ-MED-12c115cc-2
0.505
MAT-POS-f7918075-2
0.505
MAT-POS-bbbbc21a-2
0.505
EDJ-MED-12c115cc-1
0.505
RAL-THA-05e671eb-28
0.505
LAU-MED-88a3970a-5
0.505
LAU-MED-88a3970a-6
0.505
DAR-DIA-0587064e-15
0.505
LAU-MED-88a3970a-17
0.505
MAT-POS-5369c344-1
0.505
LAU-MED-88a3970a-18
0.505
LAU-MED-88a3970a-10
0.505
LAU-MED-88a3970a-1
0.505
LAU-MED-88a3970a-2
0.505
LAU-MED-88a3970a-9
0.505
VLA-UCB-05e51b3f-11
0.505
VLA-UCB-50c39ae8-8
0.505
NAU-LAT-0543f7f2-10
0.500
FRA-DIA-b66f7109-3
0.500
LAU-MED-88a3970a-3
0.495
LAU-MED-88a3970a-4
0.495
LAU-MED-88a3970a-8
0.495