Molecular Properties | |
SMILES: | O=C(COc1cc(Cl)cc2c1OCCC2C(=O)Nc1cncc2ccccc12)Nc1cnccn1 |
MW: | 489.12 |
Fraction sp3: | 0.16 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 115.33 |
cLogP: | 4.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
DAR-DIA-0587064e-12
0.713
MAT-POS-5369c344-4
0.713
KAD-UNI-877d7bed-17
0.712
LAU-MED-88a3970a-1
0.706
LAU-MED-88a3970a-2
0.706
DAR-DIA-0587064e-15
0.706
MAT-POS-5369c344-1
0.706
DAR-DIA-0587064e-17
0.699
LAU-MED-88a3970a-3
0.692
LAU-MED-88a3970a-4
0.692
MAT-POS-5369c344-2
0.689
DAR-DIA-0587064e-10
0.689
MAT-POS-5369c344-6
0.679
MAT-POS-5369c344-5
0.676
MAT-POS-5369c344-7
0.676
DAR-DIA-0587064e-22
0.676
MAT-POS-5369c344-3
0.673
DAR-DIA-0587064e-19
0.673
KAD-UNI-877d7bed-1
0.673
KAD-UNI-877d7bed-8
0.670
EDJ-MED-e4b030d8-7
0.663
RAL-THA-05e671eb-19
0.663
DAR-DIA-6a508060-4
0.663
MAT-POS-43fe65f4-1
0.663
KAD-UNI-877d7bed-5
0.661
NAU-LAT-0543f7f2-10
0.661
KAD-UNI-877d7bed-13
0.658
DAR-DIA-0587064e-20
0.655
KAD-UNI-877d7bed-11
0.652
KAD-UNI-877d7bed-14
0.652
DAR-DIA-0587064e-24
0.652
KAD-UNI-877d7bed-16
0.643
VLA-UCB-05e51b3f-11
0.639
VLA-UCB-50c39ae8-8
0.639
EDJ-MED-e4b030d8-4
0.632
KAD-UNI-877d7bed-18
0.632
KAD-UNI-877d7bed-10
0.632
KAD-UNI-877d7bed-12
0.626
KAD-UNI-877d7bed-20
0.624
KAD-UNI-877d7bed-2
0.621
KAD-UNI-877d7bed-19
0.621
KAD-UNI-877d7bed-6
0.615
RAL-THA-05e671eb-16
0.592
ALP-UNI-3735e77e-2
0.592
DAR-DIA-23e5a6a0-2
0.591
DAR-DIA-23e5a6a0-3
0.588
DAR-DIA-23e5a6a0-5
0.588
LAU-MED-88a3970a-8
0.587
LAU-MED-88a3970a-7
0.587
ALP-POS-ce760d3f-1
0.587
DAR-DIA-23e5a6a0-1
0.586
KAD-UNI-877d7bed-9
0.585
EDJ-MED-e4b030d8-5
0.585
KAD-UNI-877d7bed-7
0.584
LAU-MED-88a3970a-5
0.583
LAU-MED-88a3970a-6
0.583
LAU-MED-88a3970a-9
0.582
LAU-MED-88a3970a-10
0.582
LAU-MED-88a3970a-17
0.582
LAU-MED-88a3970a-18
0.582
RAL-THA-05e671eb-18
0.581
RAL-THA-05e671eb-17
0.581
LAU-MED-88a3970a-13
0.577
LAU-MED-88a3970a-14
0.577
DAR-DIA-23e5a6a0-7
0.569
DAR-DIA-23e5a6a0-4
0.568
LAU-MED-88a3970a-15
0.568
LAU-MED-88a3970a-16
0.568
DAR-DIA-6a508060-5
0.566
RAL-THA-05e671eb-20
0.565
ALP-POS-fe871b40-1
0.565
LAU-MED-88a3970a-11
0.562
LAU-MED-88a3970a-12
0.562
KAD-UNI-877d7bed-4
0.562
DAR-DIA-23e5a6a0-10
0.557
MIC-UNK-08fa0751-1
0.554
DAR-DIA-23e5a6a0-8
0.547
DAR-DIA-23e5a6a0-6
0.546
RAL-THA-05e671eb-21
0.544
ALP-POS-fe871b40-5
0.538
PET-UNK-c0891748-2
0.538
EDJ-MED-12f7f543-1
0.538
RAL-THA-05e671eb-23
0.538
PET-UNK-c0891748-8
0.538
RAL-THA-05e671eb-25
0.538
DAR-DIA-23e5a6a0-9
0.529
KAD-UNI-877d7bed-3
0.525
ALP-POS-869ac754-2
0.524
VLA-UCB-1dbca3b4-15
0.523
MAT-POS-b3e365b9-2
0.523
MAT-POS-b3e365b9-1
0.523
MAT-POS-f7918075-1
0.523
ALP-POS-c86619f0-1
0.519
DAR-DIA-0587064e-13
0.513
FRA-DIA-b66f7109-3
0.508
VLA-UNK-9a7dc93f-4
0.500
RAL-THA-05e671eb-22
0.500
RAL-THA-05e671eb-3
0.495
DAR-DIA-0587064e-26
0.492
DAR-DIA-0587064e-16
0.492