Molecular Properties | |
SMILES: | Cc1cc(CC(=O)Nc2cnccc2C)cc(OC2CC(=O)N2)c1 |
MW: | 325.14 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.32 |
cLogP: | 2.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
RAL-THA-901e9a10-6
0.776
RAL-THA-901e9a10-5
0.753
WIL-MOD-03b86a88-1
0.744
TRY-UNI-2eddb1ff-7
0.744
RAL-THA-901e9a10-2
0.744
RAL-THA-901e9a10-4
0.716
RAL-THA-901e9a10-3
0.716
TRY-UNI-2eddb1ff-6
0.716
BRU-LEF-c49414a7-1
0.692
RAL-THA-901e9a10-7
0.692
RAL-THA-901e9a10-8
0.581
DAR-DIA-23e5a6a0-24
0.580
DAR-DIA-23e5a6a0-30
0.575
DAR-DIA-23e5a6a0-22
0.560
DAR-DIA-23e5a6a0-26
0.538
WIL-MOD-03b86a88-4
0.523
DAR-DIA-23e5a6a0-28
0.516
MAT-POS-c9973a83-1
0.512
MAR-UCB-ad2ff052-1
0.500
MAR-UCB-ad2ff052-2
0.500
TRY-UNI-2eddb1ff-8
0.495
EDJ-MED-e58735b6-1
0.494
RAL-MED-2de63afb-2
0.488
ALP-POS-95b75b4d-4
0.488
JAN-GHE-83b26c96-11
0.474
ANN-UNI-98d2bf15-5
0.471
ALF-EVA-0b412456-4
0.470
ALF-EVA-0b412456-3
0.470
DAR-DIA-23e5a6a0-23
0.468
VLA-UCB-00f2c2b3-2
0.465
DAR-DIA-23e5a6a0-29
0.462
ENA-ENA-cf881d10-1
0.462
ALP-POS-3fc1724e-6
0.462
WIL-MOD-03b86a88-2
0.461
TRY-UNI-bbd40bb4-2
0.457
EDJ-MED-e58735b6-2
0.457
ALP-POS-95b75b4d-2
0.457
JAN-GHE-83b26c96-13
0.457
TRY-UNI-714a760b-6
0.457
MAT-POS-e501d84c-1
0.456
TRY-UNI-bbd40bb4-6
0.456
JAN-GHE-f4ca5a00-15
0.455
ALF-EVA-0b412456-1
0.455
WIL-MOD-03b86a88-3
0.455
TRY-UNI-714a760b-5
0.455
DAR-DIA-1d7f034a-1
0.452
MAR-UCB-ad2ff052-3
0.452
MAT-POS-044491d2-1
0.452
ALP-POS-95b75b4d-1
0.451
JAN-GHE-83b26c96-12
0.451
DAR-DIA-23e5a6a0-21
0.449
NAU-LAT-0543f7f2-5
0.446
TRY-UNI-2eddb1ff-2
0.444
ALP-POS-3b848b35-2
0.444
MAT-POS-3b92565d-3
0.444
EDG-MED-0da5ad92-8
0.444
EDJ-MED-7320d5d2-1
0.444
VLA-UCB-00f2c2b3-1
0.443
NAU-LAT-0543f7f2-2
0.442
DAR-DIA-0cde14eb-79
0.442
RAL-THA-6b94ceba-6
0.442
RAL-THA-6b94ceba-11
0.440
RAL-THA-6b94ceba-12
0.438
WIL-MOD-03b86a88-5
0.438
GAB-REV-70cc3ca5-18
0.438
RAL-THA-6b94ceba-14
0.438
MIH-UNI-6b9ca91a-1
0.438
RAL-THA-6b94ceba-3
0.438
RAL-THA-6b94ceba-4
0.438
DAR-DIA-23e5a6a0-25
0.438
RAL-THA-6b94ceba-1
0.438
ALF-EVA-0b412456-2
0.437
ALF-EVA-0b412456-6
0.437
DAR-DIA-0cde14eb-1
0.437
NAU-LAT-0543f7f2-1
0.436
DAR-DIA-0cde14eb-76
0.435
JAN-GHE-83b26c96-14
0.435
ALP-POS-95b75b4d-3
0.435
ANN-UNI-98d2bf15-2
0.435
RAL-THA-6b94ceba-8
0.433
WIL-MOD-03b86a88-6
0.433
EDJ-MED-e58735b6-4
0.433
RAL-THA-6b94ceba-2
0.433
MAT-POS-590ac91e-10
0.432
EDJ-MED-c9f55a56-1
0.432
DAR-DIA-0cde14eb-2
0.432
RAL-THA-6b94ceba-7
0.432
RAL-THA-6b94ceba-13
0.432
CHO-MSK-6e55470f-8
0.431
CHO-MSK-6e55470f-9
0.431
TRY-UNI-714a760b-20
0.430
ALP-POS-3fc1724e-5
0.430
RAL-THA-6b94ceba-9
0.429
MAT-POS-044491d2-2
0.427
RAL-THA-6b94ceba-5
0.427
DAR-DIA-0cde14eb-3
0.427
DAR-DIA-0cde14eb-4
0.427
RAL-THA-6b94ceba-15
0.427
EDJ-MED-e58735b6-3
0.425
DAR-DIA-0cde14eb-78
0.425