Molecular Properties | |
SMILES: | O=C(Nc1cncc2ccccc12)[C@@H]1CCOc2c(OC3CCC4(CCC4)N3)cc(Cl)cc21 |
MW: | 463.17 |
Fraction sp3: | 0.38 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 72.48 |
cLogP: | 5.4 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-23e5a6a0-2
0.847
DAR-DIA-23e5a6a0-5
0.808
DAR-DIA-23e5a6a0-3
0.790
VLA-UCB-05e51b3f-11
0.750
VLA-UCB-50c39ae8-8
0.750
DAR-DIA-23e5a6a0-4
0.743
EDJ-MED-e4b030d8-4
0.710
MAT-POS-43fe65f4-1
0.677
RAL-THA-05e671eb-19
0.677
EDJ-MED-e4b030d8-7
0.677
DAR-DIA-6a508060-4
0.677
DAR-DIA-0587064e-15
0.670
MAT-POS-5369c344-1
0.670
DAR-DIA-23e5a6a0-11
0.670
DAR-DIA-23e5a6a0-6
0.655
DAR-DIA-0587064e-12
0.644
MAT-POS-5369c344-4
0.644
LAU-MED-88a3970a-1
0.638
LAU-MED-88a3970a-2
0.638
DAR-DIA-23e5a6a0-7
0.636
DAR-DIA-0587064e-17
0.632
LAU-MED-88a3970a-3
0.626
LAU-MED-88a3970a-4
0.626
MAT-POS-5369c344-2
0.624
DAR-DIA-0587064e-10
0.624
MAT-POS-5369c344-5
0.613
DAR-DIA-0587064e-22
0.613
DAR-DIA-0587064e-19
0.609
MAT-POS-5369c344-3
0.609
DAR-DIA-23e5a6a0-10
0.609
KAD-UNI-877d7bed-12
0.609
RAL-THA-05e671eb-18
0.608
DAR-DIA-0587064e-20
0.607
KAD-UNI-877d7bed-17
0.607
RAL-THA-05e671eb-16
0.604
ALP-UNI-3735e77e-2
0.604
MAT-POS-5369c344-7
0.598
NAU-LAT-0543f7f2-10
0.598
ALP-POS-ce760d3f-1
0.598
RAL-THA-05e671eb-17
0.592
KAD-UNI-877d7bed-2
0.590
MAT-POS-5369c344-6
0.588
KAD-UNI-877d7bed-10
0.586
KAD-UNI-877d7bed-15
0.586
DAR-DIA-23e5a6a0-8
0.584
KAD-UNI-877d7bed-1
0.583
KAD-UNI-877d7bed-16
0.583
EDJ-MED-e4b030d8-5
0.581
KAD-UNI-877d7bed-14
0.580
LAU-MED-88a3970a-6
0.579
LAU-MED-88a3970a-5
0.579
MIC-UNK-08fa0751-1
0.578
DAR-DIA-0587064e-24
0.578
ALP-POS-fe871b40-1
0.575
RAL-THA-05e671eb-20
0.575
KAD-UNI-877d7bed-18
0.573
KAD-UNI-877d7bed-13
0.571
KAD-UNI-877d7bed-6
0.571
LAU-MED-88a3970a-8
0.569
LAU-MED-88a3970a-7
0.569
KAD-UNI-877d7bed-8
0.568
KAD-UNI-877d7bed-20
0.567
DAR-DIA-23e5a6a0-9
0.564
KAD-UNI-877d7bed-19
0.563
DAR-DIA-6a508060-5
0.562
LAU-MED-88a3970a-11
0.559
LAU-MED-88a3970a-13
0.559
LAU-MED-88a3970a-12
0.559
LAU-MED-88a3970a-14
0.559
DAR-DIA-23e5a6a0-12
0.558
KAD-UNI-877d7bed-11
0.554
LAU-MED-88a3970a-15
0.550
LAU-MED-88a3970a-16
0.550
LAU-MED-88a3970a-17
0.550
LAU-MED-88a3970a-18
0.550
LAU-MED-88a3970a-10
0.550
LAU-MED-88a3970a-9
0.550
KAD-UNI-877d7bed-5
0.549
EDJ-MED-12f7f543-1
0.548
PET-UNK-c0891748-2
0.548
RAL-THA-05e671eb-25
0.548
ALP-POS-fe871b40-5
0.548
PET-UNK-c0891748-8
0.548
KAD-UNI-877d7bed-4
0.547
RAL-THA-05e671eb-21
0.539
MAT-POS-b3e365b9-1
0.533
RAL-THA-05e671eb-3
0.533
MAT-POS-f7918075-1
0.533
RAL-THA-05e671eb-23
0.533
VLA-UCB-1dbca3b4-15
0.533
MAT-POS-b3e365b9-2
0.533
KAD-UNI-877d7bed-9
0.532
KAD-UNI-877d7bed-7
0.531
FRA-DIA-b66f7109-3
0.530
ALP-POS-c86619f0-1
0.528
DAR-DIA-23e5a6a0-15
0.526
DAR-DIA-0587064e-14
0.522
DAR-DIA-23e5a6a0-13
0.522
ALP-POS-869ac754-2
0.519
RYA-UNI-6d7114fd-1
0.509