Molecular Properties | |
SMILES: | O=C1CC(Oc2cc(Cl)cc3c2OCC3C(=O)Nc2nncn2C2CC2)N1 |
MW: | 389.09 |
Fraction sp3: | 0.41 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 107.37 |
cLogP: | 1.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
JAG-UCB-c61058a9-40
0.759
ALP-POS-beec22ab-1
0.759
ADA-UCB-b1b30a00-10
0.759
BAR-COM-df4db19c-1
0.759
BAR-COM-ace1b61b-3
0.579
MAT-POS-e478a234-1
0.543
NAU-LAT-8502cac5-2
0.489
MIC-UNK-deda7a44-5
0.489
JAG-UCB-c61058a9-18
0.489
JAG-UCB-c61058a9-39
0.485
BAR-COM-ace1b61b-1
0.480
BAR-COM-ace1b61b-4
0.465
JAG-UCB-a3ef7265-20
0.458
MAT-POS-968e8d9c-1
0.458
JAG-UCB-119787ef-1
0.458
BAR-COM-ace1b61b-2
0.447
RAL-THA-5ed3c24e-3
0.443
JAG-UCB-c61058a9-19
0.442
EDG-MED-fe7487f8-4
0.433
VLA-UCB-05e51b3f-11
0.432
VLA-UCB-50c39ae8-8
0.432
ERI-UCB-9c7ec71b-4
0.420
JAN-GHE-299e5c7e-3
0.417
JAG-UCB-c61058a9-17
0.414
BRU-THA-a358fbdd-3
0.414
ADA-UCB-b1b30a00-7
0.410
ROB-UNI-569bc02e-1
0.410
EDG-MED-fe7487f8-8
0.406
RAL-THA-6ca1b233-1
0.406
EDG-MED-fe7487f8-3
0.406
RAL-THA-5ed3c24e-1
0.404
JAG-UCB-c61058a9-34
0.404
JAG-UCB-c61058a9-35
0.404
EDJ-MED-2c295496-1
0.402
EDJ-MED-0e996074-1
0.402
EDG-MED-fe7487f8-2
0.402
EDG-MED-fe7487f8-11
0.402
RAL-THA-f8a0f917-3
0.402
EDG-MED-4b32601a-1
0.402
MIK-NEW-7f99bfc4-1
0.402
EDG-MED-a20b5824-1
0.400
NAU-LAT-8502cac5-3
0.400
RAL-THA-6ca1b233-3
0.400
EDG-MED-fe7487f8-5
0.398
RAL-THA-6ca1b233-2
0.392
RAL-THA-f8a0f917-2
0.392
RAL-THA-5ed3c24e-2
0.392
JAN-GHE-f4ca5a00-6
0.389
EDG-MED-4b32601a-2
0.388
RAL-THA-6ca1b233-4
0.388
ANT-OPE-3d7cb11b-3
0.388
EDG-MED-fe7487f8-1
0.388
BRU-THA-a358fbdd-7
0.388
RAL-THA-f8a0f917-1
0.386
JOH-UNI-04a01eac-1
0.382
ERI-UCB-a38d41be-1
0.381
JAN-GHE-299e5c7e-4
0.380
JAN-GHE-299e5c7e-5
0.380
EDG-MED-fe7487f8-10
0.376
ANT-OPE-06da2058-1
0.376
JAG-UCB-c61058a9-37
0.373
EDJ-MED-fb79a796-2
0.373
EDJ-MED-fb79a796-3
0.368
NAU-LAT-8502cac5-5
0.363
BRU-THA-a358fbdd-5
0.363
EDJ-MED-fb79a796-1
0.360
JAG-UCB-c61058a9-21
0.359
ANT-OPE-3d7cb11b-4
0.359
NAU-LAT-e1818702-1
0.358
JAN-GHE-f4ca5a00-12
0.358
NAU-LAT-e1818702-3
0.357
ANT-OPE-7b52af4b-1
0.354
JOH-UNI-d0d90dc1-3
0.352
ERI-UCB-9c7ec71b-1
0.350
JAN-GHE-f4ca5a00-4
0.350
JOH-UNI-9ad7e798-1
0.350
ANT-OPE-66a89c65-2
0.350
JAG-UCB-c61058a9-12
0.349
NAU-LAT-8502cac5-8
0.347
BRU-CON-67e07230-1
0.343
NAU-LAT-8502cac5-4
0.340
DAR-DIA-23e5a6a0-15
0.339
MIK-NEW-9ae4bfeb-1
0.336
BRU-THA-a358fbdd-4
0.336
EDG-MED-fe7487f8-6
0.336
FRA-DIA-b66f7109-2
0.333
DAR-DIA-23e5a6a0-12
0.333
JAG-UCB-c61058a9-31
0.333
JAG-UCB-c61058a9-32
0.333
JAG-UCB-c61058a9-8
0.333
JAG-UCB-c61058a9-15
0.333
NAU-LAT-e1818702-2
0.330
DAR-DIA-23e5a6a0-14
0.328
DAR-DIA-23e5a6a0-5
0.325
DAR-DIA-23e5a6a0-13
0.325
JOH-UNI-766085ab-1
0.324
NAU-LAT-e1818702-6
0.320
DAR-DIA-23e5a6a0-2
0.320
DAR-DIA-23e5a6a0-11
0.320
JAN-GHE-299e5c7e-1
0.318