Molecular Properties | |
SMILES: | O=C1CC(Oc2cc(Cl)cc3c2OCC[C@H]3C(=O)Nc2cncc3ccccc23)N1 |
MW: | 423.1 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 89.55 |
cLogP: | 3.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-09-29 |
Synthesis Location: | enamine |
Shipped: | synthesis in progress |
betalactam
b-lactam
VLA-UCB-50c39ae8-8
1.000
DAR-DIA-23e5a6a0-5
0.792
DAR-DIA-23e5a6a0-2
0.776
DAR-DIA-23e5a6a0-3
0.773
EDJ-MED-e4b030d8-4
0.763
DAR-DIA-23e5a6a0-1
0.750
DAR-DIA-23e5a6a0-4
0.743
EDJ-MED-e4b030d8-7
0.728
DAR-DIA-6a508060-4
0.728
RAL-THA-05e671eb-19
0.728
MAT-POS-43fe65f4-1
0.728
DAR-DIA-0587064e-12
0.691
MAT-POS-5369c344-4
0.691
DAR-DIA-0587064e-15
0.684
MAT-POS-5369c344-1
0.684
LAU-MED-88a3970a-2
0.684
LAU-MED-88a3970a-1
0.684
DAR-DIA-0587064e-17
0.677
FRA-DIA-b66f7109-3
0.673
LAU-MED-88a3970a-3
0.670
LAU-MED-88a3970a-4
0.670
MAT-POS-5369c344-5
0.670
DAR-DIA-0587064e-10
0.667
MAT-POS-5369c344-2
0.667
ALP-POS-ce760d3f-1
0.660
MAT-POS-5369c344-7
0.654
MAT-POS-5369c344-3
0.650
DAR-DIA-0587064e-19
0.650
ALP-UNI-3735e77e-2
0.649
RAL-THA-05e671eb-16
0.649
DAR-DIA-0587064e-20
0.648
DAR-DIA-6a508060-5
0.647
MAT-POS-5369c344-6
0.642
KAD-UNI-877d7bed-15
0.639
DAR-DIA-0587064e-22
0.638
NAU-LAT-0543f7f2-10
0.638
KAD-UNI-877d7bed-16
0.636
RAL-THA-05e671eb-17
0.635
RAL-THA-05e671eb-18
0.635
KAD-UNI-877d7bed-12
0.633
EDJ-MED-e4b030d8-5
0.622
KAD-UNI-877d7bed-1
0.620
RAL-THA-05e671eb-20
0.616
ALP-POS-fe871b40-1
0.616
KAD-UNI-877d7bed-14
0.616
DAR-DIA-0587064e-24
0.615
KAD-UNI-877d7bed-19
0.613
LAU-MED-88a3970a-13
0.612
LAU-MED-88a3970a-14
0.612
KAD-UNI-877d7bed-10
0.609
KAD-UNI-877d7bed-18
0.609
LAU-MED-88a3970a-7
0.608
LAU-MED-88a3970a-8
0.608
LAU-MED-88a3970a-6
0.604
LAU-MED-88a3970a-5
0.604
KAD-UNI-877d7bed-8
0.604
LAU-MED-88a3970a-18
0.602
LAU-MED-88a3970a-17
0.602
MIC-UNK-08fa0751-1
0.602
KAD-UNI-877d7bed-17
0.602
KAD-UNI-877d7bed-2
0.598
KAD-UNI-877d7bed-13
0.593
KAD-UNI-877d7bed-6
0.593
DAR-DIA-23e5a6a0-10
0.589
KAD-UNI-877d7bed-11
0.588
KAD-UNI-877d7bed-20
0.588
MAT-POS-b3e365b9-2
0.588
RAL-THA-05e671eb-25
0.588
MAT-POS-b3e365b9-1
0.588
PET-UNK-c0891748-2
0.588
EDJ-MED-12f7f543-1
0.588
ALP-POS-fe871b40-5
0.588
PET-UNK-c0891748-8
0.588
VLA-UCB-1dbca3b4-15
0.588
MAT-POS-f7918075-1
0.588
LAU-MED-88a3970a-9
0.587
LAU-MED-88a3970a-16
0.587
LAU-MED-88a3970a-10
0.587
LAU-MED-88a3970a-15
0.587
KAD-UNI-877d7bed-5
0.583
LAU-MED-88a3970a-12
0.581
LAU-MED-88a3970a-11
0.581
RAL-THA-05e671eb-21
0.579
KAD-UNI-877d7bed-4
0.579
KAD-UNI-877d7bed-7
0.575
ALP-POS-869ac754-2
0.573
BAR-COM-df4db19c-1
0.573
JAG-UCB-c61058a9-40
0.573
ADA-UCB-b1b30a00-10
0.573
ALP-POS-beec22ab-1
0.573
DAR-DIA-23e5a6a0-7
0.573
RAL-THA-05e671eb-23
0.571
ALP-POS-c86619f0-1
0.566
DAR-DIA-23e5a6a0-8
0.564
KAD-UNI-877d7bed-9
0.563
FRA-DIA-b66f7109-2
0.557
RAL-THA-05e671eb-3
0.556
DAR-DIA-23e5a6a0-6
0.549
RYA-UNI-6d7114fd-1
0.545
ALP-POS-869ac754-1
0.545