Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)N(CCC1CCCCC1)c1cc(Cl)cc(OC2CC(=O)N2)c1 |
MW: | 456.19 |
Fraction sp3: | 0.46 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 83.56 |
cLogP: | 5.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-08-19 |
Synthesis Location: | wuxi |
Shipped: | synthesis in progress |
betalactam
b-lactam
MAR-UCB-ad2ff052-3
1.000
MAT-POS-136e7878-2
0.767
MAR-UCB-ad2ff052-2
0.736
MAT-POS-53907a1c-2
0.734
MAT-POS-53907a1c-3
0.683
ALF-EVA-650655fc-3
0.648
ALF-EVA-650655fc-5
0.643
MAR-UCB-ad2ff052-1
0.632
ALF-EVA-650655fc-2
0.629
ALF-EVA-650655fc-1
0.606
MAT-POS-136e7878-1
0.604
ALP-POS-3fc1724e-5
0.604
ALF-EVA-650655fc-6
0.553
ALF-EVA-650655fc-7
0.547
ALF-EVA-650655fc-8
0.543
ALF-EVA-650655fc-4
0.538
TRY-UNI-2eddb1ff-7
0.530
WIL-MOD-03b86a88-1
0.530
TRY-UNI-2eddb1ff-8
0.530
JAN-GHE-f4ca5a00-15
0.519
DAR-DIA-667e571f-7
0.518
MIC-UNK-ea979c74-4
0.509
MAT-UCB-93f6aed8-1
0.496
RAY-UNI-5365d7e5-1
0.495
ALP-POS-3fc1724e-6
0.482
RAL-THA-901e9a10-5
0.462
RAL-THA-901e9a10-6
0.462
ALP-POS-3fc1724e-7
0.459
RAL-THA-901e9a10-1
0.452
TRY-UNI-2eddb1ff-6
0.444
RAL-THA-901e9a10-4
0.444
RAL-THA-901e9a10-3
0.444
RAL-THA-901e9a10-2
0.443
DAR-DIA-23e5a6a0-22
0.420
RAL-THA-901e9a10-7
0.419
BRU-LEF-c49414a7-1
0.419
DAR-DIA-23e5a6a0-24
0.418
DAR-DIA-23e5a6a0-30
0.413
TRY-UNI-714a760b-10
0.404
ALE-HEI-f28a35b5-6
0.404
EDG-MED-0da5ad92-4
0.404
RYA-UNI-8a7f7a0d-1
0.392
RAL-THA-901e9a10-8
0.391
DAR-DIA-23e5a6a0-26
0.389
EDJ-MED-c314995a-1
0.386
VLA-UCB-05e51b3f-14
0.386
JOR-UNI-2fc98d0b-12
0.385
ALF-EVA-0b412456-4
0.378
ALF-EVA-0b412456-3
0.378
DAR-DIA-23e5a6a0-28
0.376
MAT-UCB-93f6aed8-2
0.376
EDG-MED-0da5ad92-3
0.374
WIL-MOD-03b86a88-4
0.373
TRY-UNI-bbd40bb4-6
0.370
ALF-EVA-0b412456-6
0.364
EDG-MED-0da5ad92-20
0.364
TRY-UNI-bbd40bb4-2
0.363
ALP-POS-ddb41b15-10
0.361
CHA-KIN-f512e507-1
0.360
EDG-MED-0da5ad92-19
0.360
CHA-KIN-f512e507-3
0.360
CHO-MSK-6e55470f-2
0.357
MIC-UNK-cdc2493e-1
0.357
RAL-THA-065e0743-2
0.356
MAT-POS-3b92565d-3
0.356
EDJ-MED-7320d5d2-1
0.356
ALP-POS-3b848b35-2
0.356
MAT-POS-c9973a83-1
0.356
CHA-KIN-f512e507-2
0.354
ALF-EVA-0b412456-1
0.353
ALF-EVA-0b412456-2
0.352
ALF-EVA-0b412456-7
0.352
BEN-DND-b89db3f2-3
0.351
TRY-UNI-714a760b-11
0.351
ALE-HEI-f28a35b5-7
0.351
ADA-UCB-dc2b944c-3
0.350
ADA-UCB-dc2b944c-17
0.350
ADA-UCB-dc2b944c-2
0.350
DAR-DIA-667e571f-4
0.350
DAR-DIA-23e5a6a0-23
0.348
MAT-UCB-70f7c0f7-5
0.348
CHA-KIN-cd2ef30b-2
0.347
DAR-DIA-53551c05-7
0.347
DAR-DIA-667e571f-2
0.346
DAR-DIA-667e571f-5
0.343
TRY-UNI-bbd40bb4-5
0.342
DAR-DIA-23e5a6a0-29
0.342
ALF-EVA-0b412456-5
0.341
DAR-DIA-667e571f-3
0.341
SAM-UNK-2684b532-4
0.339
MAT-POS-0d6fb2dd-1
0.337
MAT-POS-6c3d76b3-1
0.337
SAM-UNK-2684b532-2
0.336
RAL-THA-6b94ceba-9
0.336
DAR-DIA-23e5a6a0-21
0.336
CHA-KIN-cd2ef30b-3
0.336
CHO-MSK-6e55470f-7
0.336
MAT-POS-e501d84c-1
0.333
CHA-KIN-cd2ef30b-1
0.333
RAL-THA-6b94ceba-11
0.333