Molecular Properties | |
SMILES: | Cc1ccncc1NC(=O)Cc1cccc(OC2CC(=O)N2)c1 |
MW: | 311.13 |
Fraction sp3: | 0.24 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.32 |
cLogP: | 1.8 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Order Status | |
Ordered: | 2020-06-03 |
Synthesis Location: | enamine |
Shipped: | 2020-06-24 |
betalactam
b-lactam
RAL-THA-901e9a10-7
1.000
RAL-THA-901e9a10-1
0.692
RAL-THA-901e9a10-5
0.662
RAL-THA-901e9a10-6
0.662
WIL-MOD-03b86a88-1
0.654
TRY-UNI-2eddb1ff-7
0.654
RAL-THA-901e9a10-2
0.654
EDJ-MED-e58735b6-1
0.653
TRY-UNI-2eddb1ff-6
0.631
RAL-THA-901e9a10-3
0.631
RAL-THA-901e9a10-4
0.631
ANN-UNI-98d2bf15-5
0.618
RAL-THA-901e9a10-8
0.614
ALP-POS-95b75b4d-4
0.597
ALP-POS-95b75b4d-2
0.589
JAN-GHE-83b26c96-13
0.568
EDJ-MED-e58735b6-2
0.568
TRY-UNI-714a760b-6
0.568
ALP-POS-95b75b4d-1
0.560
JAN-GHE-83b26c96-12
0.560
DAR-DIA-0cde14eb-79
0.544
ANN-UNI-98d2bf15-2
0.538
DAR-DIA-0cde14eb-76
0.538
JAN-GHE-83b26c96-14
0.538
ALP-POS-95b75b4d-3
0.538
DAR-DIA-0cde14eb-1
0.537
TRY-UNI-69298daf-1
0.533
TRY-UNI-714a760b-20
0.532
DAR-DIA-0cde14eb-2
0.531
EDJ-MED-e58735b6-4
0.530
EDJ-MED-e58735b6-3
0.525
DAR-DIA-0cde14eb-78
0.525
DAR-DIA-0cde14eb-4
0.524
DAR-DIA-0cde14eb-3
0.524
DAR-DIA-23e5a6a0-30
0.517
TRY-UNI-714a760b-5
0.507
DAR-DIA-0cde14eb-77
0.506
DAR-DIA-0cde14eb-14
0.506
DAR-DIA-23e5a6a0-24
0.505
SAD-SAT-7d5528d9-1
0.500
VLA-UCB-00f2c2b3-2
0.494
RAL-MED-2de63afb-1
0.494
DAR-DIA-23e5a6a0-22
0.489
MAT-POS-c9973a83-1
0.488
DAR-DIA-23e5a6a0-26
0.484
TRY-UNI-bbd40bb4-6
0.483
MAR-UCB-ad2ff052-1
0.478
BAR-COM-4e090d3a-39
0.476
TRY-UNI-2eddb1ff-8
0.473
TRY-UNI-69298daf-3
0.472
VLA-UCB-00f2c2b3-1
0.471
JAN-GHE-83b26c96-11
0.467
WIL-MOD-03b86a88-4
0.467
DAR-DIA-23e5a6a0-28
0.464
MAR-UCB-ad2ff052-2
0.463
TRY-UNI-69298daf-5
0.462
MAT-POS-590ac91e-10
0.462
RAL-MED-2de63afb-6
0.458
ALP-POS-3fc1724e-6
0.456
EDG-MED-0da5ad92-8
0.456
TRY-UNI-2eddb1ff-2
0.456
MIH-UNI-6b9ca91a-1
0.449
GAB-REV-70cc3ca5-18
0.448
TRY-UNI-2eddb1ff-1
0.446
RAL-MED-2de63afb-11
0.443
EDJ-MED-c9f55a56-1
0.443
DAR-DIA-23e5a6a0-29
0.441
WIL-MOD-03b86a88-2
0.438
TRY-UNI-bbd40bb4-2
0.436
JAN-GHE-f4ca5a00-15
0.436
MAT-POS-e501d84c-1
0.433
RAL-THA-6b94ceba-11
0.433
GAB-REV-70cc3ca5-20
0.432
WIL-MOD-03b86a88-3
0.432
DAR-DIA-23e5a6a0-23
0.432
DAR-DIA-0cde14eb-61
0.430
ALP-POS-f13221e1-4
0.429
RAL-THA-6b94ceba-8
0.427
MAT-POS-590ac91e-24
0.425
NAU-LAT-0543f7f2-5
0.424
BEN-DND-93268d01-6
0.424
NAU-LAT-0543f7f2-2
0.421
ALE-HEI-f28a35b5-12
0.421
ALP-POS-95b75b4d-10
0.420
RAL-THA-6b94ceba-5
0.420
JOH-UNI-abfda500-6
0.420
ANN-UNI-98d2bf15-1
0.420
DAR-DIA-1d7f034a-1
0.419
MAR-UCB-ad2ff052-3
0.419
RAL-THA-6b94ceba-6
0.419
ALP-POS-95b75b4d-5
0.419
MAT-POS-bb423b95-4
0.419
MAT-POS-590ac91e-7
0.418
MAK-UNK-6ca90168-26
0.417
RAL-THA-6b94ceba-1
0.417
RAL-THA-6b94ceba-3
0.417
RAL-THA-6b94ceba-4
0.417
DAR-DIA-23e5a6a0-25
0.417
RAL-THA-6b94ceba-14
0.416
WIL-MOD-03b86a88-5
0.416