Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2c(OC3COC3)cc(Cl)cc21 |
MW: | 410.1 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 69.68 |
cLogP: | 4.17 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
VLA-UCB-1dbca3b4-15
EDJ-MED-e4b030d8-7
0.782
DAR-DIA-6a508060-4
0.782
RAL-THA-05e671eb-19
0.782
MAT-POS-43fe65f4-1
0.782
VLA-UCB-05e51b3f-11
0.763
VLA-UCB-50c39ae8-8
0.763
DAR-DIA-23e5a6a0-3
0.750
DAR-DIA-23e5a6a0-5
0.732
DAR-DIA-0587064e-12
0.720
MAT-POS-5369c344-4
0.720
DAR-DIA-23e5a6a0-2
0.717
MAT-POS-5369c344-1
0.713
LAU-MED-88a3970a-1
0.713
DAR-DIA-0587064e-15
0.713
LAU-MED-88a3970a-2
0.713
DAR-DIA-23e5a6a0-1
0.710
DAR-DIA-0587064e-17
0.705
EDJ-MED-e4b030d8-5
0.703
DAR-DIA-23e5a6a0-4
0.703
LAU-MED-88a3970a-4
0.698
LAU-MED-88a3970a-3
0.698
DAR-DIA-0587064e-10
0.694
MAT-POS-5369c344-2
0.694
ALP-UNI-3735e77e-2
0.678
RAL-THA-05e671eb-16
0.678
DAR-DIA-0587064e-19
0.677
MAT-POS-5369c344-3
0.677
ALP-POS-ce760d3f-1
0.670
NAU-LAT-0543f7f2-10
0.663
MAT-POS-5369c344-5
0.663
MAT-POS-5369c344-7
0.663
DAR-DIA-0587064e-22
0.663
RAL-THA-05e671eb-18
0.663
RAL-THA-05e671eb-17
0.663
DAR-DIA-0587064e-20
0.657
MAT-POS-5369c344-6
0.650
LAU-MED-88a3970a-7
0.649
LAU-MED-88a3970a-8
0.649
KAD-UNI-877d7bed-10
0.648
KAD-UNI-877d7bed-6
0.645
KAD-UNI-877d7bed-1
0.644
KAD-UNI-877d7bed-16
0.644
RAL-THA-05e671eb-20
0.642
ALP-POS-fe871b40-1
0.642
KAD-UNI-877d7bed-14
0.639
DAR-DIA-0587064e-24
0.638
KAD-UNI-877d7bed-18
0.632
KAD-UNI-877d7bed-15
0.632
PET-UNK-c0891748-8
0.630
EDJ-MED-12f7f543-1
0.630
RAL-THA-05e671eb-25
0.630
PET-UNK-c0891748-2
0.630
ALP-POS-fe871b40-5
0.630
LAU-MED-88a3970a-5
0.629
LAU-MED-88a3970a-6
0.629
MIC-UNK-08fa0751-1
0.626
KAD-UNI-877d7bed-12
0.626
KAD-UNI-877d7bed-8
0.626
KAD-UNI-877d7bed-2
0.620
KAD-UNI-877d7bed-19
0.620
LAU-MED-88a3970a-13
0.620
LAU-MED-88a3970a-14
0.620
KAD-UNI-877d7bed-13
0.615
LAU-MED-88a3970a-17
0.610
LAU-MED-88a3970a-9
0.610
LAU-MED-88a3970a-15
0.610
LAU-MED-88a3970a-16
0.610
LAU-MED-88a3970a-18
0.610
LAU-MED-88a3970a-10
0.610
KAD-UNI-877d7bed-11
0.609
KAD-UNI-877d7bed-17
0.609
KAD-UNI-877d7bed-20
0.609
RAL-THA-05e671eb-21
0.604
LAU-MED-88a3970a-11
0.604
LAU-MED-88a3970a-12
0.604
KAD-UNI-877d7bed-5
0.604
MAT-POS-b3e365b9-2
0.596
VLA-UCB-1dbca3b4-15
0.596
RAL-THA-05e671eb-23
0.596
MAT-POS-b3e365b9-1
0.596
MAT-POS-f7918075-1
0.596
DAR-DIA-6a508060-5
0.592
ALP-POS-c86619f0-1
0.589
DAR-DIA-23e5a6a0-8
0.585
KAD-UNI-877d7bed-4
0.585
KAD-UNI-877d7bed-9
0.583
DAR-DIA-23e5a6a0-10
0.581
ALP-POS-869ac754-2
0.581
DAR-DIA-0d514e7d-6
0.574
KAD-UNI-877d7bed-7
0.568
DAR-DIA-23e5a6a0-7
0.565
RAL-THA-05e671eb-3
0.562
FRA-DIA-b66f7109-3
0.557
DAR-DIA-23e5a6a0-6
0.555
RAL-THA-05e671eb-22
0.553
DAR-DIA-0d514e7d-4
0.552
RYA-UNI-6d7114fd-1
0.552
RAL-THA-05e671eb-2
0.552
ALP-POS-869ac754-1
0.552
VLA-UNK-9a7dc93f-4
0.550