Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)C(CCC1CCCCC1)c1cc(Cl)cc(OC2CC(=O)N2)c1 |
MW: | 455.2 |
Fraction sp3: | 0.48 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 8 |
TPSA: | 80.32 |
cLogP: | 5.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
AAR-POS-d2a4d1df-1
ALP-POS-3fc1724e-7
0.783
JAN-GHE-f4ca5a00-15
0.747
ALP-POS-3fc1724e-6
0.710
TRY-UNI-2eddb1ff-8
0.667
DAR-DIA-1d7f034a-1
0.604
MAR-UCB-ad2ff052-3
0.604
MAR-UCB-ad2ff052-2
0.509
TRY-UNI-2eddb1ff-7
0.505
WIL-MOD-03b86a88-1
0.505
MAR-UCB-ad2ff052-1
0.495
MAT-POS-136e7878-2
0.450
JAN-GHE-83b26c96-8
0.446
RAL-THA-901e9a10-5
0.439
MAT-POS-53907a1c-2
0.435
RAL-THA-901e9a10-1
0.430
RAL-THA-901e9a10-6
0.426
RAL-THA-901e9a10-2
0.422
JAN-GHE-74b8b0cb-2
0.417
MAT-POS-53907a1c-3
0.416
ALP-POS-a30bcdb4-2
0.415
BRU-LEF-c49414a7-1
0.411
RAL-THA-901e9a10-7
0.411
RAL-THA-901e9a10-4
0.411
RAL-THA-901e9a10-3
0.411
TRY-UNI-2eddb1ff-6
0.411
EDG-MED-0da5ad92-5
0.410
MAT-POS-136e7878-1
0.405
ALP-POS-3b848b35-4
0.405
MIC-UNK-c66144cb-3
0.405
DAR-DIA-23e5a6a0-22
0.400
ALF-EVA-650655fc-5
0.398
DAR-DIA-23e5a6a0-24
0.398
DAR-DIA-23e5a6a0-30
0.393
ALF-EVA-650655fc-3
0.389
MAT-POS-c478e61b-2
0.386
RAL-THA-901e9a10-8
0.384
ALE-HEI-f28a35b5-6
0.381
EDG-MED-0da5ad92-4
0.381
TRY-UNI-714a760b-10
0.381
MAK-UNK-f203cb68-3
0.380
BEN-DND-93268d01-3
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MAK-UNK-f203cb68-16
0.377
TRY-UNI-714a760b-16
0.374
ALF-EVA-650655fc-2
0.373
TRY-UNI-714a760b-18
0.373
TRY-UNI-2eddb1ff-5
0.373
JAN-GHE-83b26c96-4
0.373
JAN-GHE-83b26c96-5
0.373
TRY-UNI-2eddb1ff-4
0.373
DAR-DIA-23e5a6a0-26
0.371
DAR-DIA-23e5a6a0-28
0.370
DAR-DIA-667e571f-7
0.367
TRY-UNI-2eddb1ff-3
0.366
RAY-UNI-5365d7e5-1
0.366
DAN-RED-da448e80-9
0.364
TRY-UNI-bbd40bb4-6
0.364
ALF-EVA-650655fc-1
0.363
MAK-UNK-f203cb68-7
0.363
BEN-DND-93268d01-2
0.363
MIC-UNK-ea979c74-4
0.362
SAM-UNK-2684b532-10
0.360
MAK-UNK-f203cb68-1
0.360
DAN-RED-da448e80-13
0.358
MAT-POS-590ac91e-5
0.357
TRY-UNI-714a760b-11
0.357
ALE-HEI-f28a35b5-7
0.357
ADA-UCB-6c2cb422-9
0.356
WIL-MOD-03b86a88-4
0.354
SAM-UNK-2684b532-1
0.352
RAL-THA-065e0743-2
0.350
ALF-EVA-0b412456-3
0.350
DAR-DIA-0cde14eb-71
0.349
WIL-MOD-03b86a88-3
0.349
MAK-UNK-f203cb68-19
0.348
DRE-WAB-eb790b7a-1
0.346
MAT-POS-1e5f28a7-1
0.346
PED-UNI-8d53fd73-1
0.346
PED-UNI-5b7f1100-1
0.346
DAN-RED-da448e80-1
0.346
VLA-UCB-05e51b3f-2
0.345
NAU-LAT-a5c7d7cb-3
0.345
TRY-UNI-bbd40bb4-2
0.345
JAN-GHE-83b26c96-9
0.343
MAT-POS-0d6fb2dd-1
0.343
MAT-POS-6c3d76b3-1
0.343
DAN-RED-da448e80-17
0.343
ALF-EVA-650655fc-8
0.341
MAT-POS-590ac91e-1
0.340
ERI-UCB-5b47150d-1
0.340
MAT-POS-590ac91e-2
0.340
MAT-POS-590ac91e-14
0.340
BAR-COM-0f94fc3d-19
0.340
DAN-RED-da448e80-5
0.339
ALP-POS-3fc1724e-8
0.339
ALF-EVA-0b412456-4
0.339
ALF-EVA-650655fc-4
0.338
JAN-GHE-83b26c96-10
0.336
MAT-POS-c9973a83-1
0.336
MAK-UNK-f203cb68-15
0.336
TRY-UNI-bbd40bb4-5
0.336