Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2c(CCCCO)cc(Cl)cc21 |
MW: | 410.14 |
Fraction sp3: | 0.3 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 71.45 |
cLogP: | 4.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
MAT-POS-b3e365b9-1
LAU-MED-88a3970a-8
1.000
LAU-MED-88a3970a-5
0.904
LAU-MED-88a3970a-6
0.904
LAU-MED-88a3970a-11
0.820
LAU-MED-88a3970a-12
0.820
LAU-MED-88a3970a-14
0.800
LAU-MED-88a3970a-13
0.800
LAU-MED-88a3970a-9
0.769
LAU-MED-88a3970a-10
0.769
LAU-MED-88a3970a-18
0.769
LAU-MED-88a3970a-15
0.769
LAU-MED-88a3970a-16
0.769
LAU-MED-88a3970a-17
0.769
LAU-MED-88a3970a-4
0.716
LAU-MED-88a3970a-3
0.716
LAU-MED-88a3970a-2
0.695
LAU-MED-88a3970a-1
0.695
DAR-DIA-6a508060-5
0.691
ALP-UNI-3735e77e-2
0.678
RAL-THA-05e671eb-16
0.678
DAR-DIA-23e5a6a0-10
0.677
ALP-POS-ce760d3f-1
0.670
DAR-DIA-0587064e-12
0.667
MAT-POS-5369c344-4
0.667
RAL-THA-05e671eb-19
0.667
MAT-POS-43fe65f4-1
0.667
EDJ-MED-e4b030d8-7
0.667
DAR-DIA-6a508060-4
0.667
KAD-UNI-877d7bed-18
0.663
DAR-DIA-23e5a6a0-8
0.663
RAL-THA-05e671eb-17
0.663
RAL-THA-05e671eb-18
0.663
DAR-DIA-23e5a6a0-6
0.660
DAR-DIA-23e5a6a0-7
0.657
DAR-DIA-0587064e-17
0.653
EDJ-MED-e4b030d8-4
0.649
EDJ-MED-e4b030d8-5
0.649
MIC-UNK-08fa0751-1
0.643
DAR-DIA-0587064e-15
0.643
MAT-POS-5369c344-1
0.643
RAL-THA-05e671eb-20
0.642
ALP-POS-fe871b40-1
0.642
DAR-DIA-23e5a6a0-9
0.638
MAT-POS-5369c344-5
0.631
DAR-DIA-0587064e-22
0.631
NAU-LAT-0543f7f2-10
0.631
DAR-DIA-0587064e-10
0.627
MAT-POS-5369c344-2
0.627
DAR-DIA-0587064e-20
0.625
DAR-DIA-0587064e-19
0.612
MAT-POS-5369c344-3
0.612
VLA-UCB-05e51b3f-11
0.608
VLA-UCB-50c39ae8-8
0.608
DAR-DIA-0587064e-24
0.607
MAT-POS-5369c344-7
0.600
KAD-UNI-877d7bed-16
0.598
KAD-UNI-877d7bed-12
0.596
PET-UNK-c0891748-8
0.596
RAL-THA-05e671eb-25
0.596
PET-UNK-c0891748-2
0.596
ALP-POS-fe871b40-5
0.596
EDJ-MED-12f7f543-1
0.596
ALP-POS-c86619f0-1
0.589
MAT-POS-5369c344-6
0.589
KAD-UNI-877d7bed-15
0.587
KAD-UNI-877d7bed-10
0.587
RAL-THA-05e671eb-21
0.587
KAD-UNI-877d7bed-6
0.586
DAR-DIA-23e5a6a0-3
0.585
DAR-DIA-23e5a6a0-5
0.585
KAD-UNI-877d7bed-1
0.583
KAD-UNI-877d7bed-8
0.582
ALP-POS-869ac754-2
0.581
VLA-UCB-1dbca3b4-15
0.579
MAT-POS-f7918075-1
0.579
MAT-POS-b3e365b9-2
0.579
MAT-POS-b3e365b9-1
0.579
KAD-UNI-877d7bed-2
0.577
DAR-DIA-23e5a6a0-2
0.574
DAR-DIA-23e5a6a0-1
0.569
KAD-UNI-877d7bed-11
0.566
KAD-UNI-877d7bed-17
0.566
KAD-UNI-877d7bed-14
0.566
DAR-DIA-23e5a6a0-4
0.564
RAL-THA-05e671eb-3
0.562
KAD-UNI-877d7bed-19
0.562
KAD-UNI-877d7bed-13
0.558
FRA-DIA-b66f7109-3
0.557
RAL-THA-05e671eb-22
0.553
KAD-UNI-877d7bed-20
0.553
RYA-UNI-6d7114fd-1
0.552
RAL-THA-05e671eb-2
0.552
ALP-POS-869ac754-1
0.552
VLA-UNK-9a7dc93f-4
0.550
KAD-UNI-877d7bed-5
0.548
DAR-DIA-0587064e-26
0.536
RAL-THA-05e671eb-11
0.535
ALP-UNI-3735e77e-3
0.535
KAD-UNI-877d7bed-4
0.533
RAL-THA-05e671eb-24
0.531