Molecular Properties | |
SMILES: | O=C1CC(Cc2cc(Cl)cc3c2OCCC3C(=O)Nc2nncn2C2CC2)N1 |
MW: | 401.13 |
Fraction sp3: | 0.47 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 98.14 |
cLogP: | 2.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
JAG-UCB-c61058a9-40
0.608
ALP-POS-beec22ab-1
0.608
ADA-UCB-b1b30a00-10
0.608
BAR-COM-df4db19c-1
0.608
MAT-POS-e478a234-1
0.591
BAR-COM-ace1b61b-1
0.591
BAR-COM-ace1b61b-4
0.589
DAR-DIA-6a508060-5
0.573
BAR-COM-ace1b61b-2
0.567
BAR-COM-ace1b61b-3
0.561
JAG-UCB-a3ef7265-20
0.505
JAG-UCB-119787ef-1
0.505
MAT-POS-968e8d9c-1
0.505
BRU-THA-a358fbdd-7
0.495
JAG-UCB-c61058a9-38
0.485
JAG-UCB-c61058a9-34
0.479
ERI-UCB-9c7ec71b-4
0.465
JAN-GHE-299e5c7e-3
0.463
EDG-MED-a20b5824-1
0.459
JAG-UCB-c61058a9-17
0.459
BRU-THA-a358fbdd-3
0.459
RAL-THA-6ca1b233-3
0.459
DAR-DIA-23e5a6a0-20
0.459
ADA-UCB-b1b30a00-7
0.452
ROB-UNI-569bc02e-1
0.452
DAR-DIA-23e5a6a0-18
0.450
RAL-THA-6ca1b233-2
0.450
RAL-THA-6ca1b233-1
0.450
EDJ-MED-2c295496-1
0.448
EDJ-MED-0e996074-1
0.448
DAR-DIA-23e5a6a0-19
0.447
DAR-DIA-23e5a6a0-17
0.446
EDG-MED-4b32601a-2
0.446
EDG-MED-fe7487f8-1
0.446
ANT-OPE-3d7cb11b-3
0.446
DAR-DIA-23e5a6a0-10
0.439
DAR-DIA-23e5a6a0-16
0.439
EDG-MED-fe7487f8-3
0.436
RAL-THA-f8a0f917-2
0.436
EDG-MED-fe7487f8-8
0.436
EDG-MED-fe7487f8-4
0.434
RAL-THA-6ca1b233-4
0.431
DAR-DIA-23e5a6a0-8
0.431
RAL-THA-5ed3c24e-3
0.430
JAG-UCB-c61058a9-18
0.429
DAR-DIA-23e5a6a0-9
0.429
NAU-LAT-8502cac5-2
0.429
MIC-UNK-deda7a44-5
0.429
DAR-DIA-23e5a6a0-7
0.427
EDG-MED-fe7487f8-5
0.427
ERI-UCB-a38d41be-1
0.423
DAR-DIA-23e5a6a0-6
0.420
RAL-THA-5ed3c24e-1
0.420
JAG-UCB-c61058a9-35
0.419
RAL-THA-f8a0f917-1
0.416
JAG-UCB-c61058a9-37
0.413
JOH-UNI-04a01eac-1
0.412
RAL-THA-5ed3c24e-2
0.408
ANT-OPE-06da2058-1
0.406
ANT-OPE-3d7cb11b-4
0.402
JAG-UCB-c61058a9-21
0.402
JOH-UNI-d0d90dc1-3
0.394
EDG-MED-fe7487f8-10
0.392
LAU-MED-88a3970a-13
0.391
LAU-MED-88a3970a-14
0.391
RAL-THA-f8a0f917-3
0.390
EDG-MED-fe7487f8-11
0.390
MIK-NEW-7f99bfc4-1
0.390
EDJ-MED-fb79a796-2
0.387
EDJ-MED-fb79a796-1
0.387
JAG-UCB-c61058a9-19
0.386
EDJ-MED-fb79a796-3
0.383
LAU-MED-88a3970a-17
0.383
LAU-MED-88a3970a-18
0.383
LAU-MED-88a3970a-5
0.381
LAU-MED-88a3970a-6
0.381
ANT-OPE-66a89c65-2
0.379
JAN-GHE-f4ca5a00-6
0.378
NAU-LAT-8502cac5-3
0.375
LAU-MED-88a3970a-7
0.374
LAU-MED-88a3970a-8
0.374
ANT-OPE-7b52af4b-1
0.370
LAU-MED-88a3970a-11
0.368
LAU-MED-88a3970a-12
0.368
EDG-MED-fe7487f8-2
0.364
EDG-MED-4b32601a-1
0.364
NAU-LAT-8502cac5-8
0.363
JAN-GHE-f4ca5a00-12
0.361
NAU-LAT-e1818702-1
0.361
JAG-UCB-c61058a9-32
0.360
LAU-MED-88a3970a-16
0.359
LAU-MED-88a3970a-9
0.359
LAU-MED-88a3970a-10
0.359
LAU-MED-88a3970a-15
0.359
JAN-GHE-299e5c7e-4
0.357
JAN-GHE-299e5c7e-5
0.357
BRU-THA-a358fbdd-5
0.352
NAU-LAT-8502cac5-5
0.352
JAG-UCB-c61058a9-8
0.349
RAL-THA-b74298ba-1
0.343