Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2c(C3COC3)cc(Cl)cc21 |
MW: | 394.11 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 60.45 |
cLogP: | 4.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
VLA-UCB-1dbca3b4-15
RAL-THA-05e671eb-16
0.718
ALP-UNI-3735e77e-2
0.718
ALP-POS-ce760d3f-1
0.709
EDJ-MED-e4b030d8-4
0.703
RAL-THA-05e671eb-18
0.701
RAL-THA-05e671eb-17
0.701
EDJ-MED-e4b030d8-7
0.685
RAL-THA-05e671eb-19
0.685
DAR-DIA-6a508060-4
0.685
MAT-POS-43fe65f4-1
0.685
RAL-THA-05e671eb-20
0.678
ALP-POS-fe871b40-1
0.678
DAR-DIA-0587064e-12
0.667
MAT-POS-5369c344-4
0.667
LAU-MED-88a3970a-5
0.663
LAU-MED-88a3970a-6
0.663
LAU-MED-88a3970a-1
0.660
LAU-MED-88a3970a-2
0.660
DAR-DIA-0587064e-15
0.660
MAT-POS-5369c344-1
0.660
DAR-DIA-0587064e-17
0.653
LAU-MED-88a3970a-8
0.649
LAU-MED-88a3970a-7
0.649
MAT-POS-b3e365b9-1
0.648
ALP-POS-fe871b40-5
0.648
VLA-UCB-1dbca3b4-15
0.648
MAT-POS-b3e365b9-2
0.648
RAL-THA-05e671eb-25
0.648
PET-UNK-c0891748-2
0.648
MAT-POS-f7918075-1
0.648
PET-UNK-c0891748-8
0.648
EDJ-MED-12f7f543-1
0.648
LAU-MED-88a3970a-3
0.646
LAU-MED-88a3970a-4
0.646
LAU-MED-88a3970a-16
0.642
LAU-MED-88a3970a-17
0.642
LAU-MED-88a3970a-9
0.642
LAU-MED-88a3970a-10
0.642
LAU-MED-88a3970a-15
0.642
LAU-MED-88a3970a-18
0.642
MIC-UNK-08fa0751-1
0.642
LAU-MED-88a3970a-12
0.635
LAU-MED-88a3970a-13
0.635
LAU-MED-88a3970a-11
0.635
LAU-MED-88a3970a-14
0.635
MAT-POS-5369c344-2
0.626
DAR-DIA-0587064e-19
0.626
DAR-DIA-0587064e-10
0.626
MAT-POS-5369c344-3
0.626
DAR-DIA-6a508060-5
0.622
VLA-UCB-50c39ae8-8
0.622
VLA-UCB-05e51b3f-11
0.622
RAL-THA-05e671eb-21
0.621
DAR-DIA-23e5a6a0-3
0.614
NAU-LAT-0543f7f2-10
0.614
DAR-DIA-23e5a6a0-8
0.614
MAT-POS-5369c344-7
0.614
DAR-DIA-0587064e-22
0.614
MAT-POS-5369c344-5
0.614
ALP-POS-869ac754-2
0.614
RAL-THA-05e671eb-3
0.611
DAR-DIA-23e5a6a0-10
0.610
DAR-DIA-0587064e-20
0.608
ALP-POS-c86619f0-1
0.604
MAT-POS-5369c344-6
0.602
KAD-UNI-877d7bed-18
0.600
KAD-UNI-877d7bed-10
0.600
DAR-DIA-23e5a6a0-5
0.598
DAR-DIA-23e5a6a0-6
0.596
KAD-UNI-877d7bed-16
0.596
KAD-UNI-877d7bed-1
0.596
DAR-DIA-23e5a6a0-7
0.592
DAR-DIA-23e5a6a0-4
0.590
DAR-DIA-0587064e-24
0.590
DAR-DIA-23e5a6a0-2
0.587
KAD-UNI-877d7bed-15
0.585
RAL-THA-05e671eb-22
0.584
RAL-THA-05e671eb-2
0.582
RYA-UNI-6d7114fd-1
0.582
ALP-POS-869ac754-1
0.582
DAR-DIA-23e5a6a0-1
0.581
KAD-UNI-877d7bed-8
0.579
KAD-UNI-877d7bed-12
0.579
VLA-UNK-9a7dc93f-4
0.579
DAR-DIA-23e5a6a0-9
0.575
ALF-EVA-5b152d2f-1
0.574
KAD-UNI-877d7bed-19
0.574
KAD-UNI-877d7bed-2
0.574
MAR-UCB-6ab2ec87-4
0.571
KAD-UNI-877d7bed-13
0.569
KAD-UNI-877d7bed-6
0.569
RAL-THA-05e671eb-11
0.564
ALP-UNI-3735e77e-3
0.564
KAD-UNI-877d7bed-14
0.564
KAD-UNI-877d7bed-11
0.564
KAD-UNI-877d7bed-17
0.564
KAD-UNI-877d7bed-20
0.564
RAL-THA-05e671eb-23
0.559
RAL-THA-05e671eb-24
0.559
KAD-UNI-877d7bed-5
0.559