Molecular Properties | |
SMILES: | Cn1c(=O)c2c(ncn2CCCOc2cc(Cl)cc3c2OCCC3C(=O)Nc2cncc3ccccc23)n(C)c1=O |
MW: | 574.17 |
Fraction sp3: | 0.28 |
HBA: | 10 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 122.27 |
cLogP: | 3.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Filter82_pyridinium
DAR-DIA-0587064e-12
0.685
MAT-POS-5369c344-4
0.685
LAU-MED-88a3970a-4
0.681
LAU-MED-88a3970a-3
0.681
DAR-DIA-0587064e-17
0.673
LAU-MED-88a3970a-1
0.664
LAU-MED-88a3970a-2
0.664
NAU-LAT-0543f7f2-10
0.653
KAD-UNI-877d7bed-16
0.650
DAR-DIA-0587064e-10
0.636
MAT-POS-5369c344-2
0.636
MAT-POS-5369c344-1
0.621
DAR-DIA-0587064e-15
0.621
DAR-DIA-0587064e-20
0.620
KAD-UNI-877d7bed-18
0.613
KAD-UNI-877d7bed-10
0.613
MAT-POS-5369c344-5
0.612
DAR-DIA-0587064e-19
0.608
MAT-POS-5369c344-3
0.608
KAD-UNI-877d7bed-12
0.608
DAR-DIA-0587064e-22
0.598
MAT-POS-5369c344-7
0.598
EDJ-MED-e4b030d8-7
0.596
DAR-DIA-6a508060-4
0.596
MAT-POS-43fe65f4-1
0.596
RAL-THA-05e671eb-19
0.596
KAD-UNI-877d7bed-2
0.591
MAT-POS-5369c344-6
0.589
KAD-UNI-877d7bed-6
0.586
EDJ-MED-e4b030d8-4
0.585
KAD-UNI-877d7bed-9
0.583
KAD-UNI-877d7bed-8
0.583
KAD-UNI-877d7bed-7
0.582
DAR-DIA-0587064e-24
0.579
VLA-UCB-05e51b3f-11
0.579
VLA-UCB-50c39ae8-8
0.579
KAD-UNI-877d7bed-1
0.571
KAD-UNI-877d7bed-17
0.569
KAD-UNI-877d7bed-11
0.569
KAD-UNI-877d7bed-20
0.569
KAD-UNI-877d7bed-19
0.566
KAD-UNI-877d7bed-5
0.565
KAD-UNI-877d7bed-15
0.562
LAU-MED-88a3970a-14
0.562
LAU-MED-88a3970a-13
0.562
KAD-UNI-877d7bed-13
0.562
KAD-UNI-877d7bed-14
0.557
DAR-DIA-23e5a6a0-3
0.548
DAR-DIA-23e5a6a0-5
0.548
DAR-DIA-23e5a6a0-1
0.547
LAU-MED-88a3970a-5
0.542
LAU-MED-88a3970a-6
0.542
DAR-DIA-23e5a6a0-2
0.539
RAL-THA-05e671eb-18
0.538
LAU-MED-88a3970a-7
0.533
LAU-MED-88a3970a-8
0.533
DAR-DIA-23e5a6a0-4
0.531
RAL-THA-05e671eb-17
0.525
LAU-MED-88a3970a-12
0.524
LAU-MED-88a3970a-11
0.524
RAL-THA-05e671eb-16
0.521
ALP-UNI-3735e77e-2
0.521
ALP-POS-ce760d3f-1
0.517
KAD-UNI-877d7bed-3
0.517
EDJ-MED-e4b030d8-5
0.517
LAU-MED-88a3970a-10
0.516
LAU-MED-88a3970a-18
0.516
LAU-MED-88a3970a-17
0.516
LAU-MED-88a3970a-9
0.516
DAR-DIA-6a508060-5
0.516
RAL-THA-05e671eb-20
0.512
ALP-POS-fe871b40-1
0.512
LAU-MED-88a3970a-16
0.504
LAU-MED-88a3970a-15
0.504
DAR-DIA-23e5a6a0-10
0.496
MIC-UNK-08fa0751-1
0.492
DAR-DIA-23e5a6a0-8
0.489
DAR-DIA-23e5a6a0-9
0.485
DAR-DIA-23e5a6a0-7
0.485
DAR-DIA-0587064e-13
0.480
DAR-DIA-23e5a6a0-6
0.478
PET-UNK-c0891748-2
0.475
EDJ-MED-12f7f543-1
0.475
RAL-THA-05e671eb-25
0.475
RAL-THA-05e671eb-23
0.475
PET-UNK-c0891748-8
0.475
ALP-POS-fe871b40-5
0.475
DAR-DIA-0587064e-16
0.473
ALP-POS-c86619f0-1
0.471
RAL-THA-05e671eb-21
0.466
MAT-POS-b3e365b9-1
0.463
MAT-POS-b3e365b9-2
0.463
MAT-POS-f7918075-1
0.463
VLA-UCB-1dbca3b4-15
0.463
FRA-DIA-b66f7109-3
0.455
RAL-THA-05e671eb-22
0.454
DAR-DIA-0587064e-26
0.453
ALP-POS-869ac754-2
0.450
VLA-UNK-9a7dc93f-4
0.444
DAR-DIA-0587064e-11
0.444