Molecular Properties | |
SMILES: | CNc1ccc2c(NC(=O)Cc3cc(Cl)cc(OC4CC(=O)N4)c3)cncc2c1 |
MW: | 410.11 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 92.35 |
cLogP: | 3.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
betalactam
b-lactam
ALP-POS-3b848b35-2
ALF-EVA-0b412456-3
0.769
ALF-EVA-0b412456-4
0.769
ALF-EVA-0b412456-7
0.711
EDJ-MED-7320d5d2-1
0.707
MAT-POS-3b92565d-3
0.707
ALP-POS-3b848b35-2
0.707
ALF-EVA-0b412456-1
0.681
ALF-EVA-0b412456-2
0.670
ALF-EVA-0b412456-5
0.653
ALF-EVA-0b412456-8
0.627
MAT-POS-9ff17035-1
0.600
WIL-MOD-03b86a88-1
0.596
TRY-UNI-2eddb1ff-7
0.596
PET-UNK-cf04cb02-1
0.582
MAT-POS-3b92565d-9
0.529
RAL-THA-065e0743-2
0.524
MAT-POS-3b92565d-6
0.500
BEN-DND-b89db3f2-3
0.500
RAL-THA-2d450e86-18
0.485
MAT-POS-3b92565d-2
0.485
ALP-POS-3b848b35-1
0.485
DAR-DIA-23e5a6a0-26
0.481
DAR-DIA-23e5a6a0-30
0.480
ALP-POS-a30bcdb4-1
0.476
DAR-DIA-0587064e-3
0.471
DAR-DIA-23e5a6a0-24
0.471
EDJ-MED-50011917-1
0.457
MAT-POS-90fd5f68-4
0.450
PET-UNK-bb7ffe78-2
0.447
MAT-POS-90fd5f68-12
0.447
EDJ-MED-50011917-2
0.445
ALF-EVA-82cf4849-6
0.444
DAR-DIA-23e5a6a0-22
0.444
ALF-EVA-650655fc-1
0.439
DAR-DIA-0587064e-2
0.438
PET-UNK-8c422e11-4
0.438
DAR-DIA-0587064e-4
0.438
PET-UNK-8c422e11-3
0.437
RAL-THA-901e9a10-1
0.437
MIC-UNK-16ccb665-1
0.437
DAR-DIA-23e5a6a0-28
0.436
MAT-POS-9ff17035-3
0.434
RAL-THA-901e9a10-5
0.433
RAL-THA-901e9a10-6
0.433
ALP-POS-fab80cf2-1
0.432
RAL-THA-901e9a10-2
0.429
RYA-UNI-8a7f7a0d-1
0.426
ALF-EVA-650655fc-2
0.424
ERI-UCB-ce40166b-5
0.423
JAN-GHE-74b8b0cb-1
0.423
MAT-POS-9ff17035-2
0.423
WIL-MOD-03b86a88-4
0.423
RAL-THA-1d44ff04-1
0.420
NAU-LAT-0543f7f2-9
0.418
DAR-DIA-0587064e-5
0.417
RAL-THA-901e9a10-4
0.417
RAL-THA-901e9a10-3
0.417
TRY-UNI-2eddb1ff-6
0.417
ALF-EVA-650655fc-3
0.417
RAL-THA-1d44ff04-12
0.416
ALF-EVA-650655fc-6
0.415
DAR-DIA-0587064e-6
0.414
MAT-POS-c478e61b-1
0.414
MAT-POS-3b92565d-12
0.414
ALF-EVA-650655fc-5
0.414
DAR-DIA-0587064e-7
0.413
ALF-EVA-650655fc-7
0.413
PET-UNK-c5865d42-1
0.411
MAT-POS-53907a1c-3
0.410
DAR-DIA-0587064e-1
0.409
ROB-UNI-611831f5-1
0.409
MAT-POS-c20a539d-1
0.408
RAL-THA-1d44ff04-2
0.407
MAT-POS-fce787c2-2
0.406
ALF-EVA-650655fc-4
0.405
MAT-POS-90fd5f68-41
0.404
MAT-POS-90fd5f68-38
0.402
PET-UNK-7fb4f80a-1
0.402
MAT-POS-90fd5f68-15
0.402
MAT-POS-90fd5f68-2
0.400
MAT-POS-90fd5f68-8
0.398
ALF-EVA-650655fc-8
0.397
FRA-DIA-b66f7109-2
0.397
MAT-POS-90fd5f68-13
0.396
MAR-UCB-ad2ff052-2
0.396
MAT-POS-90fd5f68-17
0.396
MAT-POS-c20a539d-8
0.396
RAL-THA-2d450e86-15
0.396
FRA-DIA-b66f7109-3
0.395
DAR-DIA-0587064e-8
0.395
MAR-UCB-ad2ff052-1
0.394
MAT-POS-90fd5f68-7
0.394
MAT-POS-c20a539d-4
0.394
MAT-POS-281d2ee9-1
0.393
RAL-THA-1d44ff04-11
0.393
MAT-POS-29385cc1-3
0.392
PET-UNK-bb7ffe78-1
0.392
MAT-POS-c20a539d-6
0.392
MAT-POS-281d2ee9-3
0.391
MIC-UNK-fbef42b7-2
0.391