Molecular Properties | |
SMILES: | O=C1C[C@@H](N2C[C@]3(CCN(c4cncc5ccccc45)C3=O)c3cc(Cl)ccc32)N1 |
MW: | 418.12 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 65.54 |
cLogP: | 3.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
JAG-UCB-f37eaa14-9
0.742
JAG-UCB-f37eaa14-7
0.680
JAG-UCB-f37eaa14-4
0.594
JAG-UCB-f37eaa14-5
0.585
JAG-UCB-f37eaa14-3
0.566
JAG-UCB-f37eaa14-8
0.560
PET-UNK-aa57768f-3
0.552
PET-UNK-aa57768f-9
0.552
DAR-DIA-6be260fc-5
0.549
EDJ-MED-7587a9ee-3
0.548
JAG-UCB-f37eaa14-2
0.545
DAR-DIA-6be260fc-1
0.545
EDJ-MED-159244ea-1
0.539
EDJ-MED-d4864bdc-3
0.539
EDJ-MED-94fddcec-4
0.539
ALP-POS-41e2080f-1
0.539
MAT-POS-983b399a-1
0.539
ALP-POS-477dc5b7-4
0.539
PET-UNK-aa57768f-8
0.538
LUO-POS-e1dab717-19
0.538
ALP-POS-ecbed2ba-20
0.538
PET-UNK-aa57768f-2
0.538
PET-UNK-94036022-3
0.536
PET-UNK-94036022-10
0.536
LUO-POS-ed2cfb03-2
0.533
VLA-UNK-3bd6fc51-1
0.533
MAT-POS-a9372f04-1
0.530
LUO-POS-868e8996-12
0.528
MAT-POS-c7726e07-6
0.528
EDJ-MED-8bb691af-8
0.528
PET-UNK-14142a25-10
0.528
MAT-POS-c7726e07-5
0.528
LUO-POS-868e8996-11
0.528
LUO-POS-9931618f-1
0.528
PET-UNK-14142a25-1
0.528
MIK-ENA-37e0b697-1
0.528
MIK-ENA-794411b8-1
0.528
LUO-POS-9931618f-2
0.528
EDJ-MED-8bb691af-4
0.528
ALP-POS-ecbed2ba-10
0.527
MAT-POS-566864e2-1
0.527
MAT-POS-566864e2-2
0.527
EDJ-MED-33064c06-18
0.527
ALP-POS-ecbed2ba-12
0.527
MAT-POS-69786b79-2
0.527
MAT-POS-e75f6e44-13
0.526
EDJ-MED-accc2c4d-4
0.523
EDJ-MED-3707c4bc-1
0.523
ALP-POS-ecbed2ba-3
0.523
EDJ-MED-4cb9dd84-1
0.522
EDJ-MED-40e596c8-5
0.522
ALP-POS-c3a90b22-11
0.522
ALP-POS-4483ae88-1
0.519
EDJ-MED-f9b78f78-4
0.519
JOH-MSK-4bb3d434-1
0.518
EDJ-MED-976a33d5-3
0.518
EDJ-MED-98c0a822-3
0.518
ALP-POS-c3a90b22-1
0.518
EDJ-MED-40e596c8-2
0.518
ALP-POS-ecbed2ba-7
0.514
MAT-POS-576f7758-1
0.514
EDJ-MED-40e596c8-1
0.514
MAT-POS-69786b79-1
0.514
LUO-POS-e1dab717-1
0.514
LUO-POS-ed2cfb03-1
0.514
MAT-POS-566864e2-3
0.514
MAT-POS-566864e2-4
0.514
MIK-ENA-1494235a-1
0.513
MIK-ENA-4ed700b1-1
0.513
MAT-POS-576f7758-2
0.513
EDJ-MED-976a33d5-1
0.513
MAT-POS-e48723dc-1
0.513
MAT-POS-e48723dc-2
0.513
EDJ-MED-4138fde9-8
0.513
MIK-ENA-4a1c9a78-1
0.513
LUO-POS-e1dab717-2
0.513
PET-UNK-37c7074c-1
0.509
PET-UNK-37c7074c-3
0.509
PET-UNK-37c7074c-2
0.509
PET-UNK-37c7074c-4
0.509
ALP-POS-ecbed2ba-18
0.509
PET-UNK-6af7266d-1
0.509
EDJ-MED-accc2c4d-3
0.509
EDJ-MED-3707c4bc-2
0.509
PET-UNK-6af7266d-3
0.509
ALP-POS-c3a90b22-6
0.509
EDJ-MED-6b23330e-1
0.509
EDJ-MED-0d144977-1
0.509
ALP-POS-ecbed2ba-9
0.509
EDJ-MED-98c0a822-2
0.509
EDJ-MED-98c0a822-4
0.509
EDJ-MED-40e596c8-3
0.509
EDJ-MED-40e596c8-4
0.509
EDJ-MED-33064c06-13
0.509
ALP-POS-c3a90b22-3
0.509
MIK-ENA-9eb8d9fb-1
0.508
EDJ-MED-59d5ca70-1
0.508
JAG-UCB-f37eaa14-1
0.505
ALP-POS-4483ae88-2
0.504
MAT-POS-69786b79-3
0.504