Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@H]1CCOc2c(CCCO)cc(Cl)cc21 |
MW: | 396.12 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 71.45 |
cLogP: | 4.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-b3e365b9-1
LAU-MED-88a3970a-5
1.000
LAU-MED-88a3970a-7
0.904
LAU-MED-88a3970a-8
0.904
LAU-MED-88a3970a-11
0.818
LAU-MED-88a3970a-14
0.818
LAU-MED-88a3970a-12
0.818
LAU-MED-88a3970a-13
0.818
LAU-MED-88a3970a-16
0.787
LAU-MED-88a3970a-17
0.787
LAU-MED-88a3970a-9
0.787
LAU-MED-88a3970a-10
0.787
LAU-MED-88a3970a-15
0.787
LAU-MED-88a3970a-18
0.787
LAU-MED-88a3970a-3
0.713
LAU-MED-88a3970a-4
0.713
DAR-DIA-6a508060-5
0.705
ALP-UNI-3735e77e-2
0.693
RAL-THA-05e671eb-16
0.693
LAU-MED-88a3970a-1
0.691
LAU-MED-88a3970a-2
0.691
DAR-DIA-23e5a6a0-10
0.691
ALP-POS-ce760d3f-1
0.685
RAL-THA-05e671eb-18
0.678
RAL-THA-05e671eb-17
0.678
DAR-DIA-23e5a6a0-8
0.677
DAR-DIA-23e5a6a0-7
0.670
DAR-DIA-0587064e-12
0.663
MAT-POS-5369c344-4
0.663
EDJ-MED-e4b030d8-5
0.663
DAR-DIA-6a508060-4
0.663
MAT-POS-43fe65f4-1
0.663
EDJ-MED-e4b030d8-7
0.663
RAL-THA-05e671eb-19
0.663
DAR-DIA-23e5a6a0-6
0.657
MIC-UNK-08fa0751-1
0.656
ALP-POS-fe871b40-1
0.656
RAL-THA-05e671eb-20
0.656
DAR-DIA-23e5a6a0-9
0.650
DAR-DIA-0587064e-17
0.649
KAD-UNI-877d7bed-18
0.644
DAR-DIA-0587064e-15
0.639
MAT-POS-5369c344-1
0.639
EDJ-MED-e4b030d8-4
0.629
DAR-DIA-0587064e-22
0.627
DAR-DIA-0587064e-10
0.624
MAT-POS-5369c344-2
0.624
DAR-DIA-0587064e-20
0.621
NAU-LAT-0543f7f2-10
0.612
MAT-POS-5369c344-5
0.612
RAL-THA-05e671eb-25
0.609
PET-UNK-c0891748-2
0.609
PET-UNK-c0891748-8
0.609
EDJ-MED-12f7f543-1
0.609
ALP-POS-fe871b40-5
0.609
MAT-POS-5369c344-3
0.608
DAR-DIA-0587064e-19
0.608
VLA-UCB-05e51b3f-11
0.604
VLA-UCB-50c39ae8-8
0.604
DAR-DIA-0587064e-24
0.604
RAL-THA-05e671eb-21
0.600
DAR-DIA-23e5a6a0-5
0.596
MAT-POS-5369c344-7
0.596
DAR-DIA-23e5a6a0-3
0.596
KAD-UNI-877d7bed-16
0.594
ALP-POS-869ac754-2
0.593
KAD-UNI-877d7bed-12
0.593
MAT-POS-b3e365b9-2
0.591
MAT-POS-f7918075-1
0.591
MAT-POS-b3e365b9-1
0.591
VLA-UCB-1dbca3b4-15
0.591
ALP-POS-c86619f0-1
0.585
DAR-DIA-23e5a6a0-2
0.585
MAT-POS-5369c344-6
0.585
KAD-UNI-877d7bed-10
0.583
KAD-UNI-877d7bed-15
0.583
KAD-UNI-877d7bed-6
0.582
DAR-DIA-23e5a6a0-1
0.579
KAD-UNI-877d7bed-1
0.579
KAD-UNI-877d7bed-8
0.578
RAL-THA-05e671eb-3
0.574
KAD-UNI-877d7bed-2
0.573
FRA-DIA-b66f7109-3
0.567
RAL-THA-05e671eb-22
0.565
RAL-THA-05e671eb-2
0.564
RYA-UNI-6d7114fd-1
0.564
ALP-POS-869ac754-1
0.564
KAD-UNI-877d7bed-11
0.562
VLA-UNK-9a7dc93f-4
0.561
DAR-DIA-23e5a6a0-4
0.560
KAD-UNI-877d7bed-19
0.559
RAL-THA-05e671eb-23
0.558
KAD-UNI-877d7bed-13
0.554
MAT-POS-11b63608-1
0.552
KAD-UNI-877d7bed-17
0.549
KAD-UNI-877d7bed-20
0.549
KAD-UNI-877d7bed-14
0.549
ALP-UNI-3735e77e-3
0.546
RAL-THA-05e671eb-11
0.546
DAR-DIA-0587064e-26
0.545
RAL-THA-4aa06b95-6
0.545