Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)C1CCOc2c(OCCN3C(=O)CCC3=O)cc(Cl)cc21 |
MW: | 479.12 |
Fraction sp3: | 0.28 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 97.83 |
cLogP: | 3.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
phthalimide
MAT-POS-5369c344-4
0.781
DAR-DIA-0587064e-12
0.781
LAU-MED-88a3970a-1
0.773
LAU-MED-88a3970a-2
0.773
DAR-DIA-0587064e-17
0.765
LAU-MED-88a3970a-3
0.758
LAU-MED-88a3970a-4
0.758
DAR-DIA-0587064e-10
0.735
MAT-POS-5369c344-2
0.735
NAU-LAT-0543f7f2-10
0.721
MAT-POS-5369c344-1
0.720
DAR-DIA-0587064e-15
0.720
DAR-DIA-0587064e-20
0.714
KAD-UNI-877d7bed-12
0.713
KAD-UNI-877d7bed-10
0.704
MAT-POS-5369c344-5
0.689
KAD-UNI-877d7bed-18
0.688
MAT-POS-5369c344-3
0.686
DAR-DIA-0587064e-19
0.686
EDJ-MED-e4b030d8-7
0.677
DAR-DIA-6a508060-4
0.677
MAT-POS-43fe65f4-1
0.677
RAL-THA-05e671eb-19
0.677
KAD-UNI-877d7bed-2
0.676
MAT-POS-5369c344-7
0.673
DAR-DIA-0587064e-22
0.673
KAD-UNI-877d7bed-1
0.670
KAD-UNI-877d7bed-6
0.670
MAT-POS-5369c344-6
0.661
KAD-UNI-877d7bed-8
0.652
KAD-UNI-877d7bed-4
0.650
DAR-DIA-0587064e-24
0.649
KAD-UNI-877d7bed-19
0.646
EDJ-MED-e4b030d8-4
0.644
KAD-UNI-877d7bed-15
0.643
KAD-UNI-877d7bed-9
0.636
VLA-UCB-50c39ae8-8
0.636
VLA-UCB-05e51b3f-11
0.636
KAD-UNI-877d7bed-11
0.635
KAD-UNI-877d7bed-7
0.633
KAD-UNI-877d7bed-13
0.626
KAD-UNI-877d7bed-17
0.621
KAD-UNI-877d7bed-20
0.621
KAD-UNI-877d7bed-14
0.621
LAU-MED-88a3970a-13
0.617
LAU-MED-88a3970a-14
0.617
KAD-UNI-877d7bed-5
0.615
DAR-DIA-23e5a6a0-3
0.613
ALP-UNI-3735e77e-2
0.604
RAL-THA-05e671eb-16
0.604
DAR-DIA-23e5a6a0-5
0.598
LAU-MED-88a3970a-8
0.598
LAU-MED-88a3970a-7
0.598
ALP-POS-ce760d3f-1
0.598
EDJ-MED-e4b030d8-5
0.596
LAU-MED-88a3970a-5
0.594
LAU-MED-88a3970a-6
0.594
RAL-THA-05e671eb-17
0.592
RAL-THA-05e671eb-18
0.592
DAR-DIA-6a508060-5
0.591
DAR-DIA-23e5a6a0-2
0.588
DAR-DIA-23e5a6a0-1
0.583
LAU-MED-88a3970a-9
0.578
LAU-MED-88a3970a-15
0.578
LAU-MED-88a3970a-16
0.578
LAU-MED-88a3970a-17
0.578
LAU-MED-88a3970a-18
0.578
LAU-MED-88a3970a-10
0.578
DAR-DIA-23e5a6a0-4
0.578
ALP-POS-fe871b40-1
0.575
RAL-THA-05e671eb-20
0.575
LAU-MED-88a3970a-11
0.573
LAU-MED-88a3970a-12
0.573
DAR-DIA-23e5a6a0-8
0.570
DAR-DIA-23e5a6a0-10
0.566
MIC-UNK-08fa0751-1
0.564
DAR-DIA-23e5a6a0-7
0.552
EDJ-MED-12f7f543-1
0.548
RAL-THA-05e671eb-25
0.548
PET-UNK-c0891748-8
0.548
RAL-THA-05e671eb-23
0.548
ALP-POS-fe871b40-5
0.548
PET-UNK-c0891748-2
0.548
KAD-UNI-877d7bed-3
0.544
DAR-DIA-23e5a6a0-6
0.542
RAL-THA-05e671eb-21
0.539
DAR-DIA-23e5a6a0-9
0.538
MAT-POS-b3e365b9-2
0.533
MAT-POS-b3e365b9-1
0.533
VLA-UCB-1dbca3b4-15
0.533
MAT-POS-f7918075-1
0.533
ALP-POS-c86619f0-1
0.528
DAR-DIA-0587064e-13
0.522
ALP-POS-869ac754-2
0.519
RAL-THA-05e671eb-3
0.519
FRA-DIA-b66f7109-3
0.517
DAR-DIA-0587064e-16
0.513
DAR-DIA-0587064e-26
0.500
VLA-UNK-9a7dc93f-4
0.495
RYA-UNI-6d7114fd-1
0.495