Molecular Properties | |
SMILES: | CCc1cc(CC(=O)Nc2cnccc2C)cc(OC2CC(=O)N2)c1 |
MW: | 339.16 |
Fraction sp3: | 0.32 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 80.32 |
cLogP: | 2.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
RAL-THA-901e9a10-1
0.776
RAL-THA-901e9a10-5
0.744
TRY-UNI-2eddb1ff-7
0.734
WIL-MOD-03b86a88-1
0.734
RAL-THA-901e9a10-2
0.734
TRY-UNI-2eddb1ff-6
0.707
RAL-THA-901e9a10-3
0.707
RAL-THA-901e9a10-4
0.707
BRU-LEF-c49414a7-1
0.662
RAL-THA-901e9a10-7
0.662
DAR-DIA-23e5a6a0-30
0.568
RAL-THA-901e9a10-8
0.557
DAR-DIA-23e5a6a0-24
0.556
DAR-DIA-23e5a6a0-22
0.538
DAR-DIA-23e5a6a0-26
0.533
WIL-MOD-03b86a88-4
0.517
MAR-UCB-ad2ff052-2
0.511
DAR-DIA-23e5a6a0-28
0.510
MAT-POS-c9973a83-1
0.506
ALF-EVA-0b412456-4
0.495
MAR-UCB-ad2ff052-1
0.495
TRY-UNI-2eddb1ff-8
0.489
DAR-DIA-23e5a6a0-29
0.473
EDJ-MED-e58735b6-1
0.470
TRY-UNI-bbd40bb4-2
0.468
TRY-UNI-bbd40bb4-6
0.467
MAT-POS-e501d84c-1
0.467
JAN-GHE-f4ca5a00-15
0.465
ALP-POS-95b75b4d-4
0.465
ANN-UNI-98d2bf15-5
0.465
DAR-DIA-23e5a6a0-23
0.463
DAR-DIA-1d7f034a-1
0.462
MAR-UCB-ad2ff052-3
0.462
WIL-MOD-03b86a88-2
0.456
EDJ-MED-e58735b6-2
0.451
ALF-EVA-0b412456-3
0.451
ALF-EVA-0b412456-1
0.450
MIH-UNI-6b9ca91a-1
0.450
WIL-MOD-03b86a88-3
0.449
RAL-THA-6b94ceba-12
0.449
RAL-THA-6b94ceba-16
0.449
WIL-MOD-03b86a88-5
0.449
JAN-GHE-83b26c96-11
0.449
TRY-UNI-714a760b-5
0.449
DAR-DIA-23e5a6a0-25
0.448
MAT-POS-f42f3716-9
0.444
RAL-THA-6b94ceba-8
0.444
DAR-DIA-23e5a6a0-21
0.444
ALP-POS-3fc1724e-6
0.443
VLA-UCB-00f2c2b3-2
0.443
NAU-LAT-0543f7f2-5
0.441
ENA-ENA-cf881d10-1
0.441
EDJ-MED-7320d5d2-1
0.440
ALP-POS-3b848b35-2
0.440
MAT-POS-3b92565d-3
0.440
EDG-MED-0da5ad92-8
0.439
TRY-UNI-2eddb1ff-2
0.439
RAL-THA-6b94ceba-5
0.438
RAL-THA-6b94ceba-15
0.438
VLA-UCB-00f2c2b3-1
0.438
NAU-LAT-0543f7f2-2
0.438
RAL-THA-6b94ceba-6
0.437
RAL-THA-6b94ceba-11
0.435
BAR-COM-0f94fc3d-28
0.435
TRY-UNI-714a760b-6
0.434
ALP-POS-95b75b4d-2
0.434
JAN-GHE-83b26c96-13
0.434
RAL-THA-6b94ceba-14
0.433
RAL-THA-6b94ceba-1
0.433
RAL-THA-6b94ceba-4
0.433
RAL-THA-6b94ceba-3
0.433
ALF-EVA-0b412456-2
0.433
ALF-EVA-0b412456-6
0.433
NAU-LAT-0543f7f2-1
0.432
MAT-POS-044491d2-1
0.432
NAU-LAT-0543f7f2-7
0.429
RAL-THA-6b94ceba-2
0.429
JAN-GHE-83b26c96-12
0.429
WIL-MOD-03b86a88-6
0.429
ALP-POS-95b75b4d-1
0.429
CHO-MSK-6e55470f-9
0.427
RAL-THA-6b94ceba-13
0.427
RAL-THA-6b94ceba-7
0.427
MAT-POS-590ac91e-10
0.427
EDJ-MED-c9f55a56-1
0.427
ALP-POS-3fc1724e-5
0.426
DAR-DIA-23e5a6a0-27
0.424
RAL-THA-6b94ceba-9
0.424
MAT-POS-044491d2-2
0.423
CHO-MSK-6e55470f-2
0.422
DAR-DIA-0cde14eb-79
0.420
ALF-EVA-0b412456-5
0.419
RAL-MED-2de63afb-2
0.418
GAB-REV-70cc3ca5-20
0.417
DAR-DIA-0cde14eb-16
0.417
MAT-POS-044491d2-3
0.417
MAT-POS-3b92565d-9
0.416
DAR-DIA-0cde14eb-1
0.416
DAR-DIA-0cde14eb-64
0.416
DAR-DIA-0cde14eb-61
0.416