Molecular Properties | |
SMILES: | Cc1cc(=O)n2nc(COc3cc(Cl)cc4c3OCCC4C(=O)Nc3cncc4ccccc34)nc2[nH]1 |
MW: | 516.13 |
Fraction sp3: | 0.19 |
HBA: | 8 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 123.5 |
cLogP: | 4.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-5369c344-4
0.667
DAR-DIA-0587064e-12
0.667
DAR-DIA-0587064e-19
0.661
MAT-POS-5369c344-3
0.661
DAR-DIA-0587064e-17
0.655
MAT-POS-5369c344-5
0.650
LAU-MED-88a3970a-3
0.649
LAU-MED-88a3970a-4
0.649
LAU-MED-88a3970a-1
0.646
LAU-MED-88a3970a-2
0.646
MAT-POS-5369c344-6
0.639
DAR-DIA-0587064e-22
0.636
MAT-POS-5369c344-7
0.636
KAD-UNI-877d7bed-16
0.633
MAT-POS-5369c344-1
0.632
DAR-DIA-0587064e-15
0.632
DAR-DIA-0587064e-20
0.630
NAU-LAT-0543f7f2-10
0.622
DAR-DIA-0587064e-10
0.619
MAT-POS-5369c344-2
0.619
DAR-DIA-0587064e-24
0.615
RAL-THA-05e671eb-19
0.607
DAR-DIA-6a508060-4
0.607
EDJ-MED-e4b030d8-7
0.607
MAT-POS-43fe65f4-1
0.607
KAD-UNI-877d7bed-1
0.607
KAD-UNI-877d7bed-8
0.605
KAD-UNI-877d7bed-12
0.605
KAD-UNI-877d7bed-19
0.600
KAD-UNI-877d7bed-10
0.597
KAD-UNI-877d7bed-11
0.591
KAD-UNI-877d7bed-15
0.584
KAD-UNI-877d7bed-18
0.584
KAD-UNI-877d7bed-4
0.582
VLA-UCB-05e51b3f-11
0.575
VLA-UCB-50c39ae8-8
0.575
KAD-UNI-877d7bed-2
0.575
KAD-UNI-877d7bed-6
0.570
EDJ-MED-e4b030d8-4
0.568
KAD-UNI-877d7bed-20
0.566
KAD-UNI-877d7bed-5
0.562
KAD-UNI-877d7bed-13
0.558
DAR-DIA-23e5a6a0-5
0.556
KAD-UNI-877d7bed-9
0.556
KAD-UNI-877d7bed-14
0.554
KAD-UNI-877d7bed-17
0.554
RAL-THA-05e671eb-18
0.548
LAU-MED-88a3970a-13
0.545
LAU-MED-88a3970a-14
0.545
DAR-DIA-23e5a6a0-3
0.544
ALP-UNI-3735e77e-2
0.544
RAL-THA-05e671eb-16
0.544
DAR-DIA-23e5a6a0-4
0.539
EDJ-MED-e4b030d8-5
0.538
DAR-DIA-6a508060-5
0.537
DAR-DIA-23e5a6a0-2
0.535
KAD-UNI-877d7bed-3
0.534
DAR-DIA-23e5a6a0-1
0.531
LAU-MED-88a3970a-8
0.529
LAU-MED-88a3970a-7
0.529
DAR-DIA-23e5a6a0-10
0.528
ALP-POS-ce760d3f-1
0.526
LAU-MED-88a3970a-5
0.525
LAU-MED-88a3970a-6
0.525
LAU-MED-88a3970a-17
0.525
LAU-MED-88a3970a-10
0.525
LAU-MED-88a3970a-18
0.525
LAU-MED-88a3970a-9
0.525
RAL-THA-05e671eb-17
0.521
LAU-MED-88a3970a-11
0.520
LAU-MED-88a3970a-12
0.520
LAU-MED-88a3970a-16
0.512
LAU-MED-88a3970a-15
0.512
ALP-POS-fe871b40-1
0.508
RAL-THA-05e671eb-20
0.508
DAR-DIA-23e5a6a0-8
0.508
DAR-DIA-23e5a6a0-6
0.508
DAR-DIA-23e5a6a0-7
0.504
DAR-DIA-23e5a6a0-9
0.504
MIC-UNK-08fa0751-1
0.500
RAL-THA-05e671eb-25
0.483
ALP-POS-fe871b40-5
0.483
RAL-THA-05e671eb-23
0.483
PET-UNK-c0891748-8
0.483
PET-UNK-c0891748-2
0.483
EDJ-MED-12f7f543-1
0.483
RAL-THA-05e671eb-2
0.475
RYA-UNI-6d7114fd-1
0.475
ALP-POS-869ac754-1
0.475
RAL-THA-05e671eb-21
0.474
FRA-DIA-b66f7109-3
0.473
MAT-POS-f7918075-1
0.471
MAT-POS-b3e365b9-1
0.471
MAT-POS-b3e365b9-2
0.471
VLA-UCB-1dbca3b4-15
0.471
ALP-POS-c86619f0-1
0.467
DAR-DIA-0587064e-13
0.465
DAR-DIA-0587064e-18
0.462
DAR-DIA-0587064e-26
0.459
RAL-THA-05e671eb-9
0.459