Molecular Properties | |
SMILES: | O=C1CC(Oc2cc(Cl)c3c(c2)[C@@H](C(=O)Nc2cncc4ccccc24)CCO3)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: | ✗ |
betalactam
b-lactam
FRA-DIA-b66f7109-2
0.785
FRA-DIA-b66f7109-4
0.677
VLA-UCB-05e51b3f-11
0.673
VLA-UCB-50c39ae8-8
0.673
ALP-UNI-3735e77e-2
0.660
RAL-THA-05e671eb-16
0.660
FRA-DIA-b66f7109-1
0.644
DAR-DIA-6a508060-5
0.610
RAL-THA-05e671eb-21
0.606
ALP-POS-ce760d3f-1
0.586
ALP-POS-869ac754-2
0.583
LAU-MED-88a3970a-14
0.575
LAU-MED-88a3970a-13
0.575
EDJ-MED-e4b030d8-7
0.569
DAR-DIA-6a508060-4
0.569
MAT-POS-43fe65f4-1
0.569
RAL-THA-05e671eb-19
0.569
LAU-MED-88a3970a-5
0.567
LAU-MED-88a3970a-6
0.567
LAU-MED-88a3970a-17
0.566
LAU-MED-88a3970a-18
0.566
RAL-THA-05e671eb-17
0.564
RAL-THA-05e671eb-18
0.564
LAU-MED-88a3970a-11
0.561
LAU-MED-88a3970a-12
0.561
DAR-DIA-23e5a6a0-5
0.559
MAT-POS-5369c344-4
0.557
DAR-DIA-0587064e-12
0.557
LAU-MED-88a3970a-7
0.557
LAU-MED-88a3970a-8
0.557
EDJ-MED-e4b030d8-4
0.557
LAU-MED-88a3970a-4
0.556
LAU-MED-88a3970a-3
0.556
DAR-DIA-23e5a6a0-10
0.555
EDJ-MED-e4b030d8-5
0.553
DAR-DIA-0587064e-15
0.551
LAU-MED-88a3970a-9
0.551
LAU-MED-88a3970a-1
0.551
LAU-MED-88a3970a-2
0.551
LAU-MED-88a3970a-16
0.551
MAT-POS-5369c344-1
0.551
LAU-MED-88a3970a-10
0.551
LAU-MED-88a3970a-15
0.551
PET-UNK-c0891748-2
0.550
PET-UNK-c0891748-8
0.550
EDJ-MED-12f7f543-1
0.550
ALP-POS-fe871b40-5
0.550
RAL-THA-05e671eb-25
0.550
DAR-DIA-23e5a6a0-2
0.549
RAL-THA-05e671eb-20
0.548
ALP-POS-fe871b40-1
0.548
DAR-DIA-0587064e-17
0.546
MAT-POS-5369c344-7
0.545
MAT-POS-5369c344-5
0.545
DAR-DIA-23e5a6a0-3
0.545
ALP-POS-c86619f0-1
0.545
RYA-UNI-6d7114fd-1
0.540
RAL-THA-05e671eb-2
0.540
ALP-POS-869ac754-1
0.540
DAR-DIA-23e5a6a0-7
0.540
MIC-UNK-08fa0751-1
0.537
RAL-THA-05e671eb-9
0.534
EDJ-MED-7320d5d2-1
0.533
ALP-POS-3b848b35-2
0.533
MAT-POS-3b92565d-3
0.533
DAR-DIA-23e5a6a0-8
0.531
DAR-DIA-0587064e-22
0.531
DAR-DIA-23e5a6a0-1
0.530
DAR-DIA-0587064e-10
0.527
MAT-POS-5369c344-2
0.527
DAR-DIA-0587064e-19
0.527
MAT-POS-5369c344-3
0.527
DAR-DIA-0587064e-20
0.526
DAR-DIA-23e5a6a0-4
0.526
RAL-THA-05e671eb-22
0.525
ALP-UNI-3735e77e-3
0.524
RAL-THA-05e671eb-11
0.524
VLA-UNK-9a7dc93f-4
0.524
MAT-POS-5369c344-6
0.522
MAT-POS-b3e365b9-1
0.520
MAT-POS-f7918075-1
0.520
MAT-POS-b3e365b9-2
0.520
RAL-THA-05e671eb-3
0.520
VLA-UCB-1dbca3b4-15
0.520
RAL-THA-05e671eb-23
0.520
DAR-DIA-6a508060-8
0.519
BEN-BAS-c2bc0d80-5
0.519
MAT-POS-a13804f0-2
0.519
RAL-THA-05e671eb-10
0.519
ALP-POS-fe871b40-9
0.519
ALP-POS-d91e0300-1
0.519
MAT-POS-a13804f0-3
0.519
NAU-LAT-0543f7f2-10
0.518
DAR-DIA-23e5a6a0-6
0.517
KAD-UNI-877d7bed-16
0.517
KAD-UNI-877d7bed-12
0.517
RAL-THA-05e671eb-1
0.515
ALP-UNI-4b8a177c-1
0.515
ALF-EVA-b701bd13-3
0.515
RAL-THA-05e671eb-8
0.514