Molecular Properties | |
SMILES: | COc1c(CC(=O)Nc2cncc3ccccc23)cc(Cl)cc1CC1CC(=O)N1 |
MW: | 409.12 |
Fraction sp3: | 0.23 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 80.32 |
cLogP: | 3.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
EDJ-MED-50011917-1
0.620
EDJ-MED-50011917-2
0.582
RAL-THA-2d450e86-29
0.549
MAT-POS-3b92565d-1
0.549
MAT-POS-bbbbc21a-1
0.549
RAL-THA-2d450e86-22
0.544
BEN-DND-d1eb1f41-6
0.543
ALP-POS-3b848b35-1
0.538
RAL-THA-2d450e86-18
0.538
MAT-POS-3b92565d-2
0.538
MIC-UNK-df9dcda8-4
0.538
DAR-DIA-6a508060-5
0.533
PET-UNK-c5865d42-1
0.531
EDJ-MED-7320d5d2-1
0.530
MAT-POS-3b92565d-3
0.530
ALP-POS-3b848b35-2
0.530
RAL-THA-2d450e86-27
0.528
ALP-POS-6479a3a9-2
0.521
ALP-POS-fab80cf2-1
0.520
BEN-DND-d1eb1f41-4
0.516
MAT-POS-9ff17035-1
0.515
RAL-THA-2d450e86-25
0.511
PET-UNK-dd44aeb6-1
0.511
PET-UNK-dd44aeb6-2
0.511
RAL-THA-2d450e86-24
0.511
NAU-LAT-30527ac5-1
0.510
RAL-THA-1d44ff04-6
0.510
ALP-POS-d7944b10-16
0.510
MAT-POS-fce787c2-2
0.506
RAL-THA-2d450e86-39
0.506
MIC-UNK-df9dcda8-1
0.500
ALP-POS-d7944b10-14
0.495
ALP-POS-d7944b10-15
0.495
PET-UNK-cf04cb02-1
0.495
ALP-POS-d7944b10-2
0.495
ALP-POS-df536be7-6
0.495
RAL-THA-1d44ff04-9
0.495
MAT-POS-afd4d4fd-1
0.495
RAL-THA-2d450e86-20
0.495
RAL-THA-2d450e86-36
0.494
ALP-POS-d7944b10-8
0.490
DAR-DIA-0587064e-3
0.490
RAL-THA-1d44ff04-3
0.490
ALP-POS-df536be7-5
0.490
MIC-UNK-df9dcda8-3
0.489
RAL-THA-2d450e86-15
0.489
RAL-THA-2d450e86-30
0.489
ALP-POS-d7944b10-17
0.485
MAT-POS-bbbbc21a-3
0.485
PET-UNK-dd44aeb6-3
0.484
RAL-THA-2d450e86-28
0.484
PET-UNK-bb7ffe78-1
0.484
NAU-LAT-2fed8305-5
0.484
RAL-THA-2d450e86-4
0.483
ALP-POS-d7944b10-1
0.480
ALP-POS-6479a3a9-3
0.480
ADA-UCB-6c2cb422-1
0.478
NAU-LAT-2fed8305-9
0.478
RAL-THA-2d450e86-38
0.477
RAL-THA-2d450e86-2
0.477
RAL-THA-2d450e86-37
0.477
MIC-UNK-06e5f114-4
0.477
MAK-UNK-919546f0-4
0.477
ALP-POS-d7944b10-5
0.477
RAL-THA-1d44ff04-5
0.474
RAL-THA-2d450e86-11
0.473
RAL-THA-2d450e86-14
0.473
PET-UNK-3c72d439-1
0.473
RAL-THA-2d450e86-34
0.473
MAT-POS-afd4d4fd-3
0.473
ALP-POS-d7944b10-10
0.472
MIC-UNK-06e5f114-1
0.471
ALP-POS-d7944b10-12
0.471
MIC-UNK-df9dcda8-2
0.470
DAR-DIA-0587064e-2
0.470
MIC-UNK-644c43c7-4
0.470
DAR-DIA-0587064e-4
0.470
RAL-THA-2d450e86-17
0.469
MAT-POS-fce787c2-1
0.469
PET-UNK-bb7ffe78-3
0.469
MAT-POS-cc05818f-1
0.469
RAL-THA-2d450e86-26
0.467
NAU-LAT-30527ac5-4
0.467
MIC-UNK-644c43c7-3
0.465
MAT-POS-281d2ee9-1
0.465
RAL-THA-1d44ff04-11
0.465
RAL-THA-1d44ff04-10
0.464
MIC-UNK-37660950-4
0.464
ALP-POS-d054b76b-5
0.464
MIC-UNK-06e5f114-2
0.463
RAL-THA-2d450e86-19
0.462
RAL-THA-2d450e86-33
0.462
MAT-POS-23a8a11a-1
0.462
ALP-POS-d7944b10-7
0.462
MIC-UNK-06e5f114-3
0.460
PET-UNK-8c422e11-1
0.459
LON-WEI-9739a092-3
0.459
RAL-THA-1d44ff04-4
0.458
MAK-UNK-c749d764-11
0.457
RAL-THA-2d450e86-8
0.457