Molecular Properties | |
SMILES: | Cc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1OC1CC(=O)N1 |
MW: | 395.1 |
Fraction sp3: | 0.19 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 80.32 |
cLogP: | 3.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
EDJ-MED-7320d5d2-1
0.621
ALP-POS-3b848b35-2
0.621
MAT-POS-3b92565d-3
0.621
EDJ-MED-50011917-3
0.582
RAL-THA-2d450e86-27
0.557
MAT-POS-9ff17035-1
0.554
EDJ-MED-50011917-1
0.546
PET-UNK-cf04cb02-1
0.535
VLA-UCB-50c39ae8-8
0.528
VLA-UCB-05e51b3f-11
0.528
MAT-POS-bbbbc21a-1
0.527
MAT-POS-3b92565d-1
0.527
RAL-THA-2d450e86-29
0.527
MAT-POS-fce787c2-2
0.517
RAL-THA-2d450e86-15
0.516
MAT-POS-3b92565d-2
0.516
ALP-POS-3b848b35-1
0.516
RAL-THA-2d450e86-18
0.516
ALP-POS-fab80cf2-1
0.515
RAL-THA-2d450e86-38
0.506
RAL-THA-2d450e86-25
0.505
PET-UNK-dd44aeb6-1
0.505
PET-UNK-dd44aeb6-2
0.505
RAL-THA-2d450e86-24
0.505
BEN-DND-d1eb1f41-6
0.505
RAL-THA-1d44ff04-11
0.505
NAU-LAT-30527ac5-1
0.505
RAL-THA-1d44ff04-5
0.500
MIC-UNK-df9dcda8-4
0.500
RAL-THA-2d450e86-30
0.500
PET-UNK-c5865d42-1
0.495
MIC-UNK-df9dcda8-1
0.495
BEN-DND-d1eb1f41-4
0.495
PET-UNK-bb7ffe78-3
0.495
PET-UNK-bb7ffe78-1
0.495
ALF-EVA-650655fc-1
0.491
ALP-POS-6479a3a9-3
0.490
ALP-POS-d7944b10-1
0.490
MAT-POS-281d2ee9-1
0.490
RAL-THA-1d44ff04-9
0.490
RAL-THA-1d44ff04-6
0.490
RAL-THA-1d44ff04-13
0.490
MAT-POS-afd4d4fd-1
0.489
RAL-THA-2d450e86-20
0.489
RAL-THA-2d450e86-36
0.489
DAR-DIA-0587064e-3
0.485
ALP-POS-6479a3a9-2
0.485
RAL-THA-1d44ff04-3
0.485
RAL-THA-1d44ff04-4
0.484
MIC-UNK-df9dcda8-3
0.484
RAL-THA-2d450e86-14
0.484
RAL-THA-2d450e86-8
0.484
RAL-THA-2d450e86-34
0.484
RAL-THA-2d450e86-39
0.484
FRA-DIA-b66f7109-3
0.482
PET-UNK-c5865d42-2
0.481
DAR-DIA-0587064e-4
0.480
MAT-POS-bbbbc21a-3
0.480
MAT-POS-cc05818f-1
0.479
RAL-THA-2d450e86-28
0.479
PET-UNK-dd44aeb6-3
0.479
RAL-THA-2d450e86-17
0.479
ALF-EVA-0b412456-3
0.477
ALP-POS-d7944b10-16
0.476
ALP-POS-d7944b10-2
0.475
ALP-POS-df536be7-6
0.475
PET-UNK-8c422e11-2
0.475
RAL-THA-1d44ff04-10
0.474
RAL-THA-2d450e86-22
0.474
ALF-EVA-650655fc-2
0.473
RAL-THA-2d450e86-19
0.473
NAU-LAT-2fed8305-9
0.473
ADA-UCB-6c2cb422-1
0.473
FRA-DIA-b66f7109-2
0.472
RAL-THA-2d450e86-2
0.472
RAL-THA-2d450e86-37
0.472
ALP-POS-d7944b10-8
0.472
MAK-UNK-919546f0-4
0.471
ALP-POS-df536be7-5
0.469
PET-UNK-8c422e11-1
0.469
PET-UNK-3c72d439-1
0.468
MAT-POS-afd4d4fd-3
0.467
ALP-POS-d7944b10-17
0.467
RAL-THA-2d450e86-35
0.467
DAR-DIA-0587064e-2
0.465
RAL-THA-1d44ff04-7
0.465
PET-UNK-8c422e11-4
0.465
MIC-UNK-df9dcda8-2
0.465
ALF-EVA-650655fc-3
0.465
PET-UNK-1e7f2e90-1
0.465
MIC-UNK-16ccb665-1
0.465
PET-UNK-8c422e11-3
0.465
MIC-UNK-16ccb665-3
0.464
MAT-POS-fce787c2-1
0.464
RYA-UNI-8a7f7a0d-1
0.464
ALP-POS-d7944b10-15
0.463
NAU-LAT-30527ac5-4
0.463
NAU-LAT-2fed8305-5
0.462
RAL-THA-2d450e86-26
0.462
ERI-UCB-ce40166b-5
0.462