Molecular Properties | |
SMILES: | CNC(=O)CCc1cc(Cl)cc2c1OCC[C@@H]2C(=O)Nc1cncc2ccccc12 |
MW: | 423.13 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.32 |
cLogP: | 4.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-b3e365b9-1
LAU-MED-88a3970a-17
1.000
LAU-MED-88a3970a-11
0.791
LAU-MED-88a3970a-12
0.791
LAU-MED-88a3970a-5
0.787
LAU-MED-88a3970a-6
0.787
LAU-MED-88a3970a-10
0.780
LAU-MED-88a3970a-9
0.780
LAU-MED-88a3970a-15
0.780
LAU-MED-88a3970a-16
0.780
LAU-MED-88a3970a-14
0.772
LAU-MED-88a3970a-13
0.772
LAU-MED-88a3970a-7
0.769
LAU-MED-88a3970a-8
0.769
DAR-DIA-6a508060-5
0.701
RAL-THA-05e671eb-17
0.674
RAL-THA-05e671eb-18
0.674
RAL-THA-05e671eb-16
0.670
ALP-UNI-3735e77e-2
0.670
DAR-DIA-23e5a6a0-10
0.670
ALP-POS-ce760d3f-1
0.663
DAR-DIA-0587064e-12
0.660
MAT-POS-5369c344-4
0.660
EDJ-MED-e4b030d8-7
0.660
RAL-THA-05e671eb-19
0.660
DAR-DIA-6a508060-4
0.660
MAT-POS-43fe65f4-1
0.660
DAR-DIA-23e5a6a0-8
0.657
LAU-MED-88a3970a-1
0.653
LAU-MED-88a3970a-2
0.653
DAR-DIA-23e5a6a0-7
0.650
DAR-DIA-0587064e-17
0.646
EDJ-MED-e4b030d8-5
0.642
DAR-DIA-23e5a6a0-6
0.638
ALP-POS-fe871b40-1
0.635
RAL-THA-05e671eb-20
0.635
DAR-DIA-23e5a6a0-9
0.632
LAU-MED-88a3970a-4
0.624
LAU-MED-88a3970a-3
0.624
MAT-POS-5369c344-1
0.620
DAR-DIA-0587064e-15
0.620
MIC-UNK-08fa0751-1
0.620
EDJ-MED-e4b030d8-4
0.610
DAR-DIA-0587064e-22
0.610
NAU-LAT-0543f7f2-10
0.610
DAR-DIA-0587064e-10
0.606
MAT-POS-5369c344-2
0.606
DAR-DIA-0587064e-20
0.604
VLA-UCB-50c39ae8-8
0.602
VLA-UCB-05e51b3f-11
0.602
MAT-POS-5369c344-5
0.594
DAR-DIA-0587064e-19
0.590
MAT-POS-5369c344-3
0.590
PET-UNK-c0891748-8
0.589
RAL-THA-05e671eb-25
0.589
PET-UNK-c0891748-2
0.589
ALP-POS-fe871b40-5
0.589
EDJ-MED-12f7f543-1
0.589
DAR-DIA-0587064e-24
0.587
KAD-UNI-877d7bed-15
0.582
RAL-THA-05e671eb-21
0.581
MAT-POS-5369c344-7
0.579
DAR-DIA-23e5a6a0-3
0.579
DAR-DIA-23e5a6a0-5
0.579
KAD-UNI-877d7bed-16
0.578
KAD-UNI-877d7bed-12
0.577
KAD-UNI-877d7bed-20
0.575
ALP-POS-869ac754-2
0.574
MAT-POS-b3e365b9-2
0.573
MAT-POS-f7918075-1
0.573
VLA-UCB-1dbca3b4-15
0.573
MAT-POS-b3e365b9-1
0.573
DAR-DIA-23e5a6a0-2
0.569
MAT-POS-5369c344-6
0.569
KAD-UNI-877d7bed-10
0.568
KAD-UNI-877d7bed-18
0.568
ALP-POS-c86619f0-1
0.567
KAD-UNI-877d7bed-6
0.566
FRA-DIA-b66f7109-3
0.566
KAD-UNI-877d7bed-1
0.564
KAD-UNI-877d7bed-8
0.562
KAD-UNI-877d7bed-17
0.561
VLA-UNK-9a7dc93f-4
0.560
DAR-DIA-23e5a6a0-4
0.559
KAD-UNI-877d7bed-2
0.558
RAL-THA-05e671eb-3
0.557
DAR-DIA-23e5a6a0-1
0.550
KAD-UNI-877d7bed-11
0.548
RAL-THA-05e671eb-22
0.547
RAL-THA-05e671eb-2
0.546
ALP-POS-869ac754-1
0.546
RYA-UNI-6d7114fd-1
0.546
KAD-UNI-877d7bed-19
0.544
KAD-UNI-877d7bed-5
0.543
RAL-THA-05e671eb-23
0.541
RAL-THA-05e671eb-9
0.540
KAD-UNI-877d7bed-13
0.539
KAD-UNI-877d7bed-14
0.534
DAR-DIA-0587064e-26
0.531
ALP-UNI-3735e77e-3
0.530
RAL-THA-05e671eb-11
0.530